Methyl 3-(3-indolyl)propanoate

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Names

[ CAS No. ]:
5548-09-4

[ Name ]:
Methyl 3-(3-indolyl)propanoate

[Synonym ]:
3-indolepropionic acid methyl ester
INDOLE-3-PROPIONIC ACID,METHYL ESTER
1H-Indole-3-propanoic acid,methyl ester
Methyl indole-3-propionate
Methyl indole-3-propanoate

Chemical & Physical Properties

[ Density]:
1.187g/cm3

[ Boiling Point ]:
355.8ºC at 760 mmHg

[ Molecular Formula ]:
C12H13NO2

[ Molecular Weight ]:
203.23700

[ Flash Point ]:
169ºC

[ Exact Mass ]:
203.09500

[ PSA ]:
42.09000

[ LogP ]:
2.27350

[ Index of Refraction ]:
1.607

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NM1480000
CHEMICAL NAME :
Indole-3-propionic acid, methyl ester
CAS REGISTRY NUMBER :
5548-09-4
BEILSTEIN REFERENCE NO. :
0171479
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O2
MOLECULAR WEIGHT :
203.26
WISWESSER LINE NOTATION :
T56 BMJ D2VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01188

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanol
  • 3-Indolepropionic acid
  • methyl iodide
  • Indole
  • acrylic acid methyl ester
  • diazomethane
  • Dimethyl Carbonate
  • methyl 2-hydrazono-3-(1H-indol-3-yl)propanoate

DownStream

  • 3-Indolepropanol
  • 1H-Indole-3-propanoicacid, hydrazide
  • 1,3-Dimethyluracil
  • methyl 2-(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-1H-indole-3-propionate
  • 3-(2-METHOXYCARBONYL-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • (1H-Indol-3-yl)-1-propanamine
  • IPAM
  • Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate
  • methyl 3-(2-bromo-1H-indol-3-yl)propanoate
  • methyl 3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate

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

  • methyl 3-amino-2-(1H-3-indolyl)propanoate hydrochloride
  • methyl 3-(3-indolyl)-2-methyl-2-nitropropanoate
  • 1-methylindole-3-propionic acid methyl ester
  • (-)-L-methyl 3-(3-indolyl)-2-methyl-2-nitropropanoate
  • ethyl 2-methyl-3-(3-indolyl)acrylate
  • ethyl 2-methyl-3-(3-indolyl)propionate