1H-Pyrrole-3-carboxylicacid, 5-acetyl-2,4-dimethyl-, ethyl ester

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Names

[ CAS No. ]:
6314-22-3

[ Name ]:
1H-Pyrrole-3-carboxylicacid, 5-acetyl-2,4-dimethyl-, ethyl ester

[Synonym ]:
PYRROLE-3-CARBOXYLIC ACID,5-ACETYL-2,4-DIMETHYL-,ETHYL ESTER
2,4-Dimethyl-5-acetyl-pyrrol-carbonsaeure-(3)-ethylester
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
3,5-Dimethyl-2-acetyl-4-ethoxycarbonyl-pyrrol
5-Acetyl-2,4-dimethyl-pyrrol-3-carbonsaeure-aethylester
5-Acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester

Chemical & Physical Properties

[ Density]:
1.123g/cm3

[ Boiling Point ]:
379.6ºC at 760 mmHg

[ Molecular Formula ]:
C11H15NO3

[ Molecular Weight ]:
209.24200

[ Flash Point ]:
183.4ºC

[ Exact Mass ]:
209.10500

[ PSA ]:
59.16000

[ LogP ]:
2.01080

[ Index of Refraction ]:
1.521

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX9371100
CHEMICAL NAME :
Pyrrole-3-carboxylic acid, 5-acetyl-2,4-dimethyl-, ethyl ester
CAS REGISTRY NUMBER :
6314-22-3
BEILSTEIN REFERENCE NO. :
0160846
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H15-N-O3
MOLECULAR WEIGHT :
209.27
WISWESSER LINE NOTATION :
T5MJ BV1 C1 DVO2 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1251,1968

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • 2,3,4-Pentanetrione,3-oxime
  • Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
  • Acetonitrile
  • 2,4-Pentandione
  • Ethanoic anhydride
  • Cyanoacetic acid
  • Acetyl chloride
  • 2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

DownStream

  • 1-(3,5-DICHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLICACID

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%