511161

Ethyl 2-methyl-3-indoleacetate

98%

• Synonym(s): 2-Methyl-1H-indole-3-acetic acid ethyl ester, NSC 289352
• Empirical Formula (Hill Notation): C₁₃H₁₅NO₂
• CAS Number: 21909-49-9
• Molecular Weight: 217.26
• MDL number: MFCD02093647
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873425
• NACRES: NA.22

Properties

• assay: 98%
• refractive index: n20/D 1.571 (lit.)
• bp: 195-196 °C/3.5 mmHg (lit.)
• density: 1.11 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)Cc1c(C)[nH]c2ccccc12
• InChI: 1S/C13H15NO2/c1-3-16-13(15)8-11-9(2)14-12-7-5-4-6-10(11)12/h4-7,14H,3,8H2,1-2H3
• InChI key: SLEXJGHKKHQSDC-UHFFFAOYSA-N

Description

General description

Ethyl 2-methyl-3-indoleacetate, also known as ethyl 2-(2-methyl-1H-indol-3-yl)acetate, is a substituted 1H-indole.

Application

• Reactant for preparation of hydroxamate derivatives as HDAC inhibitor with anticancer activity
• Reactant for stereoselective preparation of AG-041R, as a Potent Gastrin/CCK-B Receptor Antagonist

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter