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273880

Sigma-Aldrich

Methyl indole-4-carboxylate

99%

Synonym(s):

4-Methoxycarbonylindole

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About This Item

Empirical Formula (Hill Notation):
C10H9NO2
CAS Number:
39830-66-5
Molecular Weight:
175.18
Beilstein:
141826
MDL number:
MFCD00191222
UNSPSC Code:
12352100
PubChem Substance ID:
24856551
NACRES:
NA.22

Assay

99%

form

solid

mp

68-71 °C (lit.)

SMILES string

COC(=O)c1cccc2[nH]ccc12

InChI

1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3

InChI key

WEAXQUBYRSEBJD-UHFFFAOYSA-N

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General description

The IR and UV spectra of methyl indole-4-carboxylate was studied.

Application

  • Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
  • Reactant for preparation of cytotoxic agents against multidrug-resistant cancer cells
  • Reactant for preparation of inhibitor for β-tryptase
  • Reactant for preparation of histamine H3 antagonists
  • Reactant for preparation of JNK3 MAP kinase inhibitors
  • Reactant for preparation of nucleosides

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Isocarbostyrils. II. The Conversion of 2-Methyl-4-acyl-5-nitroisocarbostyrils to 2-Substituted Indole-4-carboxylic Acids.
Canadian Journal of Chemistry, 49(17), 2797-2802 (1971)

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