2,2-Pyrrolidinedicarboxylicacid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester

Modify Date: 2024-04-03 17:57:37

2,2-Pyrrolidinedicarboxylicacid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester Structure
2,2-Pyrrolidinedicarboxylicacid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester structure
Common Name 2,2-Pyrrolidinedicarboxylicacid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester
CAS Number 2445-91-2 Molecular Weight 271.31000
Density 1.13g/cm3 Boiling Point 378.7ºC at 760 mmHg
Molecular Formula C13H21NO5 Melting Point N/A
MSDS N/A Flash Point 182.9ºC

 Names

Name diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.13g/cm3
Boiling Point 378.7ºC at 760 mmHg
Molecular Formula C13H21NO5
Molecular Weight 271.31000
Flash Point 182.9ºC
Exact Mass 271.14200
PSA 81.70000
LogP 0.97230
Vapour Pressure 6.15E-06mmHg at 25°C
Index of Refraction 1.469

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY0760000
CHEMICAL NAME :
2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
CAS REGISTRY NUMBER :
2445-91-2
BEILSTEIN REFERENCE NO. :
0486017
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H21-N-O5
MOLECULAR WEIGHT :
271.35
WISWESSER LINE NOTATION :
T5MVTJ DY1&1 EVO2 EVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02490

 Safety Information

HS Code 2933790090

 Synthetic Route

~46%

2,2-Pyrrolidinedicarboxylicacid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester Structure

2,2-Pyrrolidine...

CAS#:2445-91-2

Literature: E. R. Squibb and Sons, Inc. Patent: US5049577 A1, 1991 ; US 5049577 A

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2933790090
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

 Synonyms

3-Isopropyl-5-Oxo-pyrrolidin-2,2-dicarbonsaeure-diethylester
2,2-Pyrrolidinedicarboxylic acid,3-isopropyl-5-oxo-,diethyl ester
3-isopropyl-5-oxo-pyrrolidine-2,2-dicarboxylic acid diethyl ester
5,5-Diethoxycarbonyl-4-(1-methyl)ethyl-2-pyrrolidinone
Diethyl 3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylate
4-Isopropyl-5,5-diethoxycarbonyl-pyrrolidin-2-on
4-isopropyl-5,5-dicarbethoxy-2-pyrrolidinone