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14891-10-2

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14891-10-2 Structure

14891-10-2 Structure
IdentificationMore
[Name]

1-N-Ethoxycarbonyl-3-pyrrolidone
[CAS]

14891-10-2
[Synonyms]

1-N-ETHOXYCARBONYL-3-PYRROLIDONE
3-OXO-PYRROLIDINE-1-CARBOXYLIC ACID ETHYL ESTER
N-(Ethoxy carboNyl)-3-pyrrolidoNe
1-ETHOXYCARBONYL-3-PYRROLIDONE
1-Ethoxycabonyl-3-Pyrrolidone
ethyl 3-oxopyrrolidine-1-carboxylate
[Molecular Formula]

C7H11NO3
[MDL Number]

MFCD02093840
[Molecular Weight]

157.17
[MOL File]

14891-10-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

122-132 °C(Press: 12 Torr)
[density ]

1.205±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C, sealed storage, away from moisture
[pka]

-1.79±0.20(Predicted)
[Appearance]

Colorless to light yellow Liquid
[CAS DataBase Reference]

14891-10-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

(+)-Menthyl chloroformate-->Ethoxycarbonylamino-acetic acid methyl ester-->acrylic acid methyl ester-->Hydrochloric acid-->Sodium hydride
Hazard InformationBack Directory
[Chemical Properties]

Boiling point 100-107 ℃ (0.4kPa).
[Uses]

1-N-Ethoxycarbonyl-3-pyrrolidone can be used as a pharmaceutical intermediate.
[Synthesis]

Glycine is added to acrylonitrile to obtain N-cyanoethylglycine, which is esterified with ethanol and condensed with methyl ethyl chloroformate to form N-ethoxycarbonyl-N-ethoxycarbonylethylglycine ethyl ester, which is then cyclized , hydrolysis and elimination to obtain 1-ethoxycarbonylpyrrolidin-3-one.
[References]

[1] Journal of Medicinal Chemistry, 2008, vol. 51, # 15, p. 4609 - 4619
[2] Patent: WO2009/140467, 2009, A1. Location in patent: Page/Page column 29
Spectrum DetailBack Directory
[Spectrum Detail]

1-N-Ethoxycarbonyl-3-pyrrolidone(14891-10-2)1HNMR
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