3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2-methyl-6-phenyl-

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Names

[ CAS No. ]:
76696-74-7

[ Name ]:
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2-methyl-6-phenyl-

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
336.1ºC at 760 mmHg

[ Molecular Formula ]:
C13H14N2O

[ Molecular Weight ]:
214.26300

[ Flash Point ]:
157.1ºC

[ Exact Mass ]:
214.11100

[ PSA ]:
32.67000

[ LogP ]:
1.17660

[ Index of Refraction ]:
1.665

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY8581928
CHEMICAL NAME :
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2-methyl-6-phenyl-
CAS REGISTRY NUMBER :
76696-74-7
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H14-N2-O
MOLECULAR WEIGHT :
214.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0015171
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0015171

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)alanine
  • ethyl (3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)alaninate hydrochloride
  • 4-Phenyl-2-pyrrolidinone

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • (S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one
  • (S)-4-[[1-(Pyridin-2-yl)pyrrolidin-2-yl]methoxy]benzaldehyde
  • tert-butyl (1R,2S)-2-aminocyclopentanecarboxylate
  • [1-(4-Methylphenyl)cyclopentyl]methanol
  • 3,5-Dibromo-2-(3,4-dichlorobenzamido)benzoic acid
  • methyl 2-[(1R,2S)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
  • 2-(3-Methoxycyclohexyl)acetic acid
  • Carbamic acid, (4-bromophenyl)hydroxy-, 4-chlorophenyl ester
  • 2-(Aminomethyl)-3,4,5-trimethylphenol
  • 2-(Aminomethyl)-3,4-dichloro-6-methylphenol
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