methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

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Names

[ CAS No. ]:
1601-18-9

[ Name ]:
methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

[Synonym ]:
Indomethacin derivative,5
EINECS 216-494-8
indomethacin methyl ester

Chemical & Physical Properties

[ Density]:
1.32g/cm3

[ Boiling Point ]:
499.4ºC at 760mmHg

[ Molecular Formula ]:
C20H18ClNO4

[ Molecular Weight ]:
371.81400

[ Flash Point ]:
255.8ºC

[ Exact Mass ]:
371.09200

[ PSA ]:
57.53000

[ LogP ]:
4.01570

[ Vapour Pressure ]:
9.13E-09mmHg at 25°C

[ Index of Refraction ]:
1.592

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3522150
CHEMICAL NAME :
Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
CAS REGISTRY NUMBER :
1601-18-9
BEILSTEIN REFERENCE NO. :
0496619
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H18-Cl-N-O4
MOLECULAR WEIGHT :
371.84
WISWESSER LINE NOTATION :
T56 BNJ BVR DG& C1 D1VO1 GO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 114,309,1975

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanol
  • Indometacin
  • 2,2-Dimethoxypropane
  • 5-Methoxy-2-methyl-1H-indole
  • 4-Chlorobenzoyl chloride
  • Methyl 5-Methoxy-2-methylindole-3-acetate
  • diazomethane

DownStream

  • 4-chlorobenzhydrazide

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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • N-{2-hydroxy-2-[4-(thiophen-3-yl)phenyl]ethyl}-1H-indole-2-carboxamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2,5-Dioxopyrrolidin-1-yl 5-bromo-2-fluoro-4-(trifluoromethyl)benzoate
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-methyl-6-(1H-pyrazol-3-yl)-Phenol
  • Potassium 5-(3-chlorobenzyl)-1,3,4-oxadiazole-2-carboxylate