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CAS No.: | 4030-18-6 |
---|---|
Name: | 1-ACETYLPYRROLIDINE |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C6H11NO |
Molecular Weight: | 113.159 |
Synonyms: | Pyrrolidine,1-acetyl- (6CI,7CI,8CI,9CI);1-Acetylpyrrolidine;N-Acetylpyrrolidine; |
Density: | 1.019 g/cm3 |
Boiling Point: | 212.1 °C at 760 mmHg |
Flash Point: | 90.8 °C |
Solubility: | Soluble in water |
Risk Codes: | 10 |
Safety: | 16 |
PSA: | 20.31000 |
LogP: | 0.56660 |
pyrrolidine
1,1-Diphenyl-2-brom-3-acetoxy-1-propen
A
N-(acetyl)pyrrolidine
B
2-bromo-3,3-diphenyl-2-propen-1-ol
Conditions | Yield |
---|---|
tetrakis(triphenylphosphine) palladium(0) at 80℃; | A n/a B 100% |
pyrrolidine
ethyl 2,4-dinitrophenylacetoacetate
A
N-(acetyl)pyrrolidine
B
α-(2,4-dinitrophenyl)ethyl acetate
Conditions | Yield |
---|---|
In chloroform at 20℃; for 24h; | A 100% B n/a |
Conditions | Yield |
---|---|
With Iron(III) nitrate nonahydrate In toluene for 24h; Reflux; | 100% |
Conditions | Yield |
---|---|
With Cp*2Sm(THF)2 In toluene Ambient temperature; | 99% |
With potassium hydroxide In water; acetone at 20 - 25℃; | 80% |
Conditions | Yield |
---|---|
With carbonylhydrido[6-(di-tert-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II) In benzene at 135℃; for 26h; Inert atmosphere; | 99% |
With zinc borohydride pyridine complex In tetrahydrofuran for 0.25h; Heating; | 95% |
With copper-manganese spinel oxide In tetrahydrofuran at 80℃; for 1h; | 91% |
With potassium tert-butylate at 157℃; for 0.05h; microwave irradiation; | 69% |
With bromopentacarbonylmanganese(I); potassium tert-butylate; N,N-bis-(3-dimethylaminopropyl)amine In toluene at 90℃; Schlenk technique; Sealed tube; Inert atmosphere; | 53% |
Conditions | Yield |
---|---|
for 3h; Reflux; | 98% |
Conditions | Yield |
---|---|
In toluene for 12h; Inert atmosphere; Reflux; | 98% |
Conditions | Yield |
---|---|
With cobalt(II) chloride; sodium sulfite; zinc In 1-methyl-pyrrolidin-2-one at 200℃; under 22502.3 Torr; for 7h; Autoclave; | 94.9% |
With palladium dichloride In 1-methyl-pyrrolidin-2-one at 190℃; for 8h; Catalytic behavior; |
pyrrolidin-1-yl-thioacetamide
N-(acetyl)pyrrolidine
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite In water at 20℃; for 0.75h; | 92% |
With silver(I) acetate In dichloromethane Ambient temperature; | 80% |
With silver(I) acetate In dichloromethane for 3h; Ambient temperature; | 80% |
(Z)-4-Pyrrolidin-1-yl-pent-3-en-2-one
N-(acetyl)pyrrolidine
Conditions | Yield |
---|---|
With silica gel for 0.2h; Irradiation; | 90% |
The Ethanone,1-(1-pyrrolidinyl)- is an organic compound with the formula C6H11NO. The IUPAC name of this chemical is 1-pyrrolidin-1-ylethanone. With the CAS registry number 4030-18-6, it is also named as N-Acetylpyrrolidine. Besides, it should be stored in a dark closed and well-ventilated place.
Physical properties about Ethanone,1-(1-pyrrolidinyl)- are: (1)ACD/LogP: 0.17; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.34; (7)ACD/KOC (pH 7.4): 29.34; (8)#H bond acceptors: 2; (9)Polar Surface Area: 20.31 Å2; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 31.21 cm3; (12)Molar Volume: 111 cm3; (13)Polarizability: 12.37×10-24cm3; (14)Surface Tension: 36.1 dyne/cm; (15)Density: 1.019 g/cm3; (16)Flash Point: 90.8 °C; (17)Enthalpy of Vaporization: 44.84 kJ/mol; (18)Boiling Point: 212.1 °C at 760 mmHg; (19)Vapour Pressure: 0.176 mmHg at 25°C.
Preparation: this chemical can be prepared by pyrrolidine and acetyl chloride. This reaction will need reagent pyridine and solvent CH2Cl2. The reaction time is 60 min. The yield is about 84%.
Uses of Ethanone,1-(1-pyrrolidinyl)-: it can be used to produce 1-nitro-pyrrolidine at ambient temperature. It will need reagent NO2OTf and solvent CH2Cl2 with reaction time of 18 hours. The yield is about 47.9%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCC1)C
(2)InChI: InChI=1/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
(3)InChIKey: LNWWQYYLZVZXKS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
(5)Std. InChIKey: LNWWQYYLZVZXKS-UHFFFAOYSA-N