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

  • [14-Methyl-5-(3-methylphenyl)-7-{[(2-methylphenyl)methyl]sulfanyl}-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl]methanol
  • (7-{[(4-Ethylphenyl)methyl]sulfanyl}-14-methyl-5-(3-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl)methanol
  • (7-{[(4-Ethenylphenyl)methyl]sulfanyl}-14-methyl-5-(3-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl)methanol
  • (7-{[(3-Chlorophenyl)methyl]sulfanyl}-14-methyl-5-(4-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl)methanol
  • (7-{[(2-Chlorophenyl)methyl]sulfanyl}-14-methyl-5-(4-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl)methanol
  • (7-{[(3-Fluorophenyl)methyl]sulfanyl}-14-methyl-5-(4-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl)methanol
  • (7-{[(2,5-Dimethylphenyl)methyl]sulfanyl}-14-methyl-5-(4-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl)methanol
  • [5-(2-Chlorophenyl)-7-{[(2,5-dimethylphenyl)methyl]sulfanyl}-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl]methanol
  • [5-(3-Chlorophenyl)-7-{[(2-fluorophenyl)methyl]sulfanyl}-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl]methanol
  • [5-(3-Chlorophenyl)-7-{[(4-ethylphenyl)methyl]sulfanyl}-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-11-yl]methanol
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