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Basic Information
CAS No.: 4030-18-6
Name: 1-ACETYLPYRROLIDINE
Article Data: 66
Molecular Structure:
Molecular Structure of 4030-18-6 (1-ACETYLPYRROLIDINE)
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
Synthetic route
123-75-1

pyrrolidine

14310-15-7

1,1-Diphenyl-2-brom-3-acetoxy-1-propen

A

4030-18-6

N-(acetyl)pyrrolidine

B

97861-65-9

2-bromo-3,3-diphenyl-2-propen-1-ol

Conditions
ConditionsYield
tetrakis(triphenylphosphine) palladium(0) at 80℃;A n/a
B 100%
123-75-1

pyrrolidine

124089-63-0

ethyl 2,4-dinitrophenylacetoacetate

A

4030-18-6

N-(acetyl)pyrrolidine

B

68084-17-3

α-(2,4-dinitrophenyl)ethyl acetate

Conditions
ConditionsYield
In chloroform at 20℃; for 24h;A 100%
B n/a
123-75-1

pyrrolidine

60-35-5

acetamide

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
With Iron(III) nitrate nonahydrate In toluene for 24h; Reflux;100%
123-75-1

pyrrolidine

108-05-4

vinyl acetate

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
With Cp*2Sm(THF)2 In toluene Ambient temperature;99%
With potassium hydroxide In water; acetone at 20 - 25℃;80%
123-75-1

pyrrolidine

141-78-6

ethyl acetate

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
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%
1445-45-0

Trimethyl orthoacetate

25150-61-2

pyrrolidine hydrochloride

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
for 3h; Reflux;98%
123-75-1

pyrrolidine

2033-24-1

cycl-isopropylidene malonate

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
In toluene for 12h; Inert atmosphere; Reflux;98%
201230-82-2

carbon monoxide

872-44-6

N,N-dimethylpyrrolidinium iodide

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
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;
18732-60-0

pyrrolidin-1-yl-thioacetamide

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
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%
255846-01-6

(Z)-4-Pyrrolidin-1-yl-pent-3-en-2-one

4030-18-6

N-(acetyl)pyrrolidine

Conditions
ConditionsYield
With silica gel for 0.2h; Irradiation;90%
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  • 1-ACETYLPYRROLIDINE

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    4030-18-6

    1-ACETYLPYRROLIDINE

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the 1-ACETYLPYRROLIDINE, CAS:4030-18-6 with the most competitive price and the best quali

    Finetech Industry Limited is a company in England,which specializing in developing, manufacturing and marketing fine organic compounds and intermediates for the fine chemical and p

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    4030-18-6

    1-ACETYLPYRROLIDINE

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    R & D enterprises have their own stock in stockAppearance:To be subject to the object Package:Customized Application:pharmaceutical intermediates Transportation:Air Port:Shanghai;Guangzhou

    Our company( GZ HONCH CHEMICAL TECHNOLOGY CO.,LTD) was founded in March 27, 2007.Our company mainly engaged in chemical products ,our products TOP purity with goodquality and o

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  • 1-Acetylpyrrolidine

  • Casno:

    4030-18-6

    1-Acetylpyrrolidine

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    Has its own laboratory, R & D and production, spot Package:5g Application:As an auxiliary additive, used as medicine, food fine chemical industry

    北京谨明生物科技有限公司 联系电话: 15801484223;18511084608 联系传真: - Email: yvhfjjp@163.com 网址: www.chemicalbook.com/ShowSupplierProductsList19924/0.htm BOOK1

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  • Ethanone,1-(1-pyrrolidinyl)-

  • Casno:

    4030-18-6

    Ethanone,1-(1-pyrrolidinyl)-

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    1-ACETYLPYRROLIDINE

    Our primary goal is to accelerate and facilitate the drug discovery process by providing research laboratories with quality products at a low cost and with fast delivery. Please co

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Specification

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