3-acetyl-2,4-dimethyl-5-carbethoxypyrrole

Names

[ Name ]:
3-acetyl-2,4-dimethyl-5-carbethoxypyrrole

[Synonym ]:
PYRROLE-2-CARBOXYLIC ACID,4-ACETYL-3,5-DIMETHYL-,ETHYL ESTER
ethyl 3,5-dimethyl-4-acetyl-1H-pyrrol-2-carboxylate
Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester
3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole
1H-Pyrrole-2-carboxylic acid,4-acetyl-3,5-dimethyl-,ethyl ester
3-Acetyl-2,4-Dimethyl-5-(Ethoxycarbonyl)Pyrrole
ethyl 3,5-dimethyl-4-acetyl-2-pyrrolecarboxylate
4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
MFCD00022373
ethyl 4-acetyl-3,5-dimetyl-1H-pyrrole-2-carboxylate
ETHYL 3-ACETYL-2,4-DIMETHYL-5-PYRROLECARBOXYLATE
4-Acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester
ethyl 4-acetyl-3,5-dimethyl-pyrrole-2-carboxylate

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
359.2±42.0 °C at 760 mmHg

[ Melting Point ]:
143 °C

[ Molecular Formula ]:
C₁₁H₁₅NO₃

[ Molecular Weight ]:
209.242

[ Flash Point ]:
171.0±27.9 °C

[ Exact Mass ]:
209.105194

[ PSA ]:
59.16000

[ LogP ]:
2.37

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.522

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9370900

CHEMICAL NAME :: Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester

CAS REGISTRY NUMBER :: 2386-26-7

LAST UPDATED :: 199309

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H15-N-O3

MOLECULAR WEIGHT :: 209.27

WISWESSER LINE NOTATION :: T5MJ BVO2 C1 DV1 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 :: 1 gm/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

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

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S36/37/39

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

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%