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

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Names

[ CAS No. ]:
2445-91-2

[ Name ]:
2,2-Pyrrolidinedicarboxylicacid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester

[Synonym ]:
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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl acetamidomalonate

DownStream

Customs

[ HS Code ]: 2933790090

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

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • Tris(pentafluorophenyl)borate
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 11-(4-Acetyl-3-hydroxy-2-propylphenoxy)undecanoic acid
  • 2-Cyclopropyl-2-phenyloxirane
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4-[(2-Hydroxyethyl)amino]cyclohexanol