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57597-62-3

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57597-62-3 Usage

Chemical Properties

clear colorless to light yellow liquid

Check Digit Verification of cas no

The CAS Registry Mumber 57597-62-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,5,9 and 7 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 57597-62:
(7*5)+(6*7)+(5*5)+(4*9)+(3*7)+(2*6)+(1*2)=173
173 % 10 = 3
So 57597-62-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3

57597-62-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-Dimethoxypropanenitrile

1.2 Other means of identification

Product number -
Other names 3,3-dimethoxypropanitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57597-62-3 SDS

57597-62-3Synthetic route

methanol
67-56-1

methanol

(E)-β-cyanovinyl phenyl sulphone
64326-47-2

(E)-β-cyanovinyl phenyl sulphone

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With sodium methylate for 0.25h;100%
methanol
67-56-1

methanol

acrylonitrile
107-13-1

acrylonitrile

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With methanesulfonic acid; Pd(OAc)2 on carbon; Pd(OAc)2 on carbon - molybdovanadophosphate; oxygen at 60℃; under 760.051 Torr; for 20h; Oxidation; Addition;96%
With palladium on activated charcoal; oxygen; copper dichloride under 7500.75 Torr; for 8h; Heating;30%
With carbon dioxide; oxygen; palladium dichloride at 50℃; under 105011 Torr; for 15h;77.1 % Chromat.
N-(2-Cyano-1-methoxy-ethyl)-N-cyclohexyl-acetamide
98014-05-2

N-(2-Cyano-1-methoxy-ethyl)-N-cyclohexyl-acetamide

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol for 2.5h; Heating;10%
propiolonitrile
1070-71-9

propiolonitrile

sodium methylate
124-41-4

sodium methylate

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With methanol
sodium methylate
124-41-4

sodium methylate

trans-β-chloroacrylonitrile
871-29-4, 3721-37-7, 3721-38-8

trans-β-chloroacrylonitrile

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
In ethanol
cyanoacetaldehyde
6162-76-1

cyanoacetaldehyde

trimethyl orthoformate
149-73-5

trimethyl orthoformate

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol; dichloromethane at 50℃; for 2h;3.9 g
acrylonitrile
107-13-1

acrylonitrile

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
palladium(II) chloride In methanol
methanol
67-56-1

methanol

acrylonitrile
107-13-1

acrylonitrile

A

3-Methoxypropionitrile
110-67-8

3-Methoxypropionitrile

B

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With carbon dioxide; oxygen; copper dichloride; palladium dichloride at 57℃; under 97507.8 Torr; for 12h;A 10.7 % Chromat.
B 87.5 % Chromat.
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2,6-dichloro-4-trifluoromethylphenylhydrazine hydrochloride

2,6-dichloro-4-trifluoromethylphenylhydrazine hydrochloride

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile
111884-98-1

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile

Conditions
ConditionsYield
In tetrachloromethane; water at 75℃; for 10h;98%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

1-(2-nitrophenyl)-4,4-dimethoxy-2-butanone
69626-62-6

1-(2-nitrophenyl)-4,4-dimethoxy-2-butanone

Conditions
ConditionsYield
With piperidine at 110℃; for 4h; Reagent/catalyst;95.8%
2-amino-1-tert-butyl-4-cyanopyrrole
269726-49-0

2-amino-1-tert-butyl-4-cyanopyrrole

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

6-amino-1-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
915726-39-5

6-amino-1-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Conditions
ConditionsYield
Stage #1: 2-amino-1-tert-butyl-4-cyanopyrrole; 3,3-dimethoxypropionitrile With hydrogenchloride In ethanol for 2h; Heating / reflux;
Stage #2: With sodium hydroxide In water
93%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-amino-2'-chloro-3,5-dimethylbenzophenone

2-amino-2'-chloro-3,5-dimethylbenzophenone

4-(2-chlorophenyl)-6,8-dimethyl-3-quinolinecarbonitrile

4-(2-chlorophenyl)-6,8-dimethyl-3-quinolinecarbonitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 3h; Heating;92%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

N-hydroxy-3,3-dimethoxypropanimidamide
197075-61-9

N-hydroxy-3,3-dimethoxypropanimidamide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium hydrogencarbonate In methanol for 16h; Reflux;87%
With hydroxylamine hydrochloride; sodium hydrogencarbonate In methanol at 80℃; for 15h;4.5 g
Methyl formate
107-31-3

Methyl formate

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3,3-dimethoxy-2-formyl-propanenitrile sodium salt
105161-33-9

3,3-dimethoxy-2-formyl-propanenitrile sodium salt

Conditions
ConditionsYield
With sodium hydride In diethyl ether at 20℃; for 48h;86%
With sodium methylate In toluene at 35 - 40℃; for 6h; Product distribution / selectivity;55 %Chromat.
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester
1208361-39-0

1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester

6-bromo-4-hydroxypyrrolo[1,2-b]pyridazine-3-carbonitrile
1400580-13-3

6-bromo-4-hydroxypyrrolo[1,2-b]pyridazine-3-carbonitrile

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; 1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester With toluene-4-sulfonic acid In tetrahydrofuran at 80℃; for 6h;
Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 80℃; for 10h;
85%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

tert-butyl 3-thienylcarbamate
19228-91-2

tert-butyl 3-thienylcarbamate

[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-carbamic acid tert-butyl ester

[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 2h; Ambient temperature;83%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-hydroxyimino-3-oxopropionitrile
571178-16-0

2-hydroxyimino-3-oxopropionitrile

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile With sodium nitrite In water at -5℃;
Stage #2: With hydrogenchloride In water at -5 - 20℃; for 2.5h;
76%
furfural
98-01-1

furfural

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

(E)-2-formyl-3-(furan-2-yl)acrylonitrile
148840-19-1

(E)-2-formyl-3-(furan-2-yl)acrylonitrile

Conditions
ConditionsYield
With sodium In methanol for 72h; Ambient temperature;75%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3-aminopropionaldehyde dimethyl acetal
60185-84-4

3-aminopropionaldehyde dimethyl acetal

Conditions
ConditionsYield
With methanol; sodium for 2h; Heating;71%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

formic acid ethyl ester
109-94-4

formic acid ethyl ester

sodium (E)-2-cyano-3,3-dimethoxy-prop-1-en-1-olate
105161-33-9

sodium (E)-2-cyano-3,3-dimethoxy-prop-1-en-1-olate

Conditions
ConditionsYield
With sodium hydride In diethyl ether at 20℃; for 48h;70%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-amino-4'-methylbenzophenone
36192-63-9

2-amino-4'-methylbenzophenone

4-(4-methylphenyl)-3-quinolinecarboxylate
149323-56-8

4-(4-methylphenyl)-3-quinolinecarboxylate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 6h; Heating;69%
3-thiophene carboxaldehyde
498-62-4

3-thiophene carboxaldehyde

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-(Dimethoxymethyl)-3-(thien-3-yl)acrylonitrile

2-(Dimethoxymethyl)-3-(thien-3-yl)acrylonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃;69%
With sodium methylate In methanol65 g (69%)
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

benzaldehyde
100-52-7

benzaldehyde

(E)-2-Dimethoxymethyl-3-phenyl-acrylonitrile
163921-40-2

(E)-2-Dimethoxymethyl-3-phenyl-acrylonitrile

Conditions
ConditionsYield
With sodium methylate In methanol Ambient temperature;68%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

benzaldehyde
100-52-7

benzaldehyde

2-(dimethoxymethyl)-3-phenylacrylonitrile

2-(dimethoxymethyl)-3-phenylacrylonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃; for 72.25h;68%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

methyl 2-(2,6-dichlorophenyl)acrylate
1203555-33-2

methyl 2-(2,6-dichlorophenyl)acrylate

methyl 2-(2,6-dichlorophenyl)-4-cyano-5,5-dimethoxypentanoate
1203555-38-7

methyl 2-(2,6-dichlorophenyl)-4-cyano-5,5-dimethoxypentanoate

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; methyl 2-(2,6-dichlorophenyl)acrylate With potassium tert-butylate In tetrahydrofuran at -78℃; for 0.0833333h; Michael addition;
Stage #2: With acetic acid In tetrahydrofuran
68%
acetic acid methyl ester
79-20-9

acetic acid methyl ester

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-(dimethoxymethyl)-3-oxo-butanenitrile sodium salt

2-(dimethoxymethyl)-3-oxo-butanenitrile sodium salt

Conditions
ConditionsYield
With sodium hydride In diethyl ether at 20℃; for 48h;65%
2-methyl-3-(trifluoromethyl)benzaldehyde
878001-20-8

2-methyl-3-(trifluoromethyl)benzaldehyde

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

(2E)-2-[bis(methyloxy)methyl]-3-[2-methyl-3-(trifluoromethyl)phenyl]-2-propenenitrile
1420468-43-4

(2E)-2-[bis(methyloxy)methyl]-3-[2-methyl-3-(trifluoromethyl)phenyl]-2-propenenitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃;64%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

benzaldehyde
100-52-7

benzaldehyde

[E]-α-cyanocinnamaldehyde
56069-64-8

[E]-α-cyanocinnamaldehyde

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; benzaldehyde at 20℃; for 8h;
Stage #2: With hydrogenchloride at 20℃; for 2h;
64%
N-(thiophen-3-yl)acetamide
42602-67-5

N-(thiophen-3-yl)acetamide

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

N-[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-acetamide

N-[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-acetamide

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 2h; Ambient temperature;63%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3-chloro-N-(2-fluoro-2-methylpropyl)-7-hydrazino-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

3-chloro-N-(2-fluoro-2-methylpropyl)-7-hydrazino-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

7-(5-aminopyrazol-1-yl)-3-chloro-N-(2-fluoro-2-methylpropyl)-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

7-(5-aminopyrazol-1-yl)-3-chloro-N-(2-fluoro-2-methylpropyl)-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

Conditions
ConditionsYield
With hydrogenchloride In ethanol at 80℃; Sealed tube;62%
dibenzoazepine
256-96-2

dibenzoazepine

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3-(5H-dibenzo[b,f]azepin-5-yl)propanenitrile

3-(5H-dibenzo[b,f]azepin-5-yl)propanenitrile

Conditions
ConditionsYield
With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; for 16h; Inert atmosphere;60%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine
86398-94-9

2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile
111884-98-1

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile

Conditions
ConditionsYield
With hydrogenchloride at 80℃; for 2h;59%
3-aminothiophene
17721-06-1

3-aminothiophene

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

thieno[3,2-b]pyridine-6-carbonitrile
116538-95-5

thieno[3,2-b]pyridine-6-carbonitrile

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran for 12h; Ambient temperature;57%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

acetic anhydride
108-24-7

acetic anhydride

N-(3,3-dimethoxypropyl)acetamide
1262142-10-8

N-(3,3-dimethoxypropyl)acetamide

Conditions
ConditionsYield
With methanol; nickel(II) sulphate; sodium tetrahydroborate at 20℃;56%
With hydrogen In tetrahydrofuran at 60℃; under 3040.2 Torr; for 6h;35%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

1,2,4-trimethoxy-benzene
135-77-3

1,2,4-trimethoxy-benzene

3,3-bis(2,4,5-trimethoxyphenyl)propanenitrile
1431862-18-8

3,3-bis(2,4,5-trimethoxyphenyl)propanenitrile

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In acetonitrile at 0 - 20℃; for 24h;55%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

methyl 2-(2,6-dichlorophenyl)acrylate
1203555-33-2

methyl 2-(2,6-dichlorophenyl)acrylate

guanidine hydrogen carbonate
124-46-9, 20734-13-8, 100224-74-6, 593-85-1

guanidine hydrogen carbonate

2-amino-6-(2,6-dichlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
1203555-39-8

2-amino-6-(2,6-dichlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; methyl 2-(2,6-dichlorophenyl)acrylate With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.0833333h;
Stage #2: With acetic acid In tetrahydrofuran
Stage #3: guanidine hydrogen carbonate With pyridine at 180℃; for 1h; Microwave irradiation;
53%

57597-62-3Relevant articles and documents

Ozonolysis of olefins, VI: Cyanoacetaldehyde by ozonolysis of (E)-1,4-dicyano-2-butene or allyl cyanide

Jachak,Mittelbach,Kriessmann,Junek

, p. 275 - 276 (1992)

A new route for the preparation of cyanoacetaldehyde (3-oxopropanenitrile, 1) and its stable dimethyl acetal (3,3-dimethoxypropanenitrile, 2), which both are valuable intermediates for organic syntheses, is described. It starts from (E)-1,4-dicyano-2-butene or allyl cyanide (3-butenenitrile), respectively, which are ozonized at -40°C and further treated with dimethyl sulfide to give a solution of 1. This solution can either be used directly for further reactions or be transformed into the dimethyl acetal 2. The overall yield of 2 is 67 to 71%. The acetal can be hydrolyzed again by treatment with Amberlyst-15 to give 1.

Palladium-catalyzed aerobic oxidation of terminal olefins with electron-withdrawing groups in scCO2

Jiang, Huan-Feng,Shen, Yan-Xia,Wang, Zhao-Yang

, p. 508 - 514 (2008/03/28)

Product control of palladium-catalyzed aerobic oxidation of terminal olefins with electron-withdrawing groups can be achieved through modifying reaction conditions. When the oxidant, such as CuCl2/O2, benzoquinone/O2 or O2, was present in scCO2, aerobic oxidation of terminal olefins goes smoothly. With enough MeOH and sufficient oxygen, acetalization preponderated over cyclotrimerization, while with little MeOH as co-solvent in scCO2 or no MeOH in DMF and an appropriate pressure of O2, cyclotrimerization of terminal olefins became the dominated reaction. When oxygen is absent and triethylamine was added into the reaction system, palladium-catalyzed C-N bond formation occurs to produce β-amino acid derivatives as the sole product.

Nitrilase from rhodococcus rhodochrous ncimb 11216

-

, (2008/06/13)

The invention relates to nucleic acid sequences which code for a polypeptide having nitrilase activity, to nucleic acid constructs comprising the nucleic acid sequences, and to vectors comprising the nucleic acid sequences or the nucleic acid constructs. The invention further relates to amino acid sequences which are encoded by the nucleic acid sequences, and to microorganisms comprising the nucleic acid sequences, the nucleic acid constructs or vectors comprising the nucleic acid sequences or the nucleic acid constructs. The invention additionally relates to an enzymatic process for preparing carboxylic acids from the corresponding nitrites.

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