methyl 5-bromo-1H-indole-2-carboxylate

Base Information

• Chemical Name: methyl 5-bromo-1H-indole-2-carboxylate
• CAS No.: 210345-56-5
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• DSSTox Substance ID: DTXSID50358760
• Nikkaji Number: J2.303.314C
• Wikidata: Q72457383
• Mol file: 210345-56-5.mol

Synonyms:methyl 5-bromo-1H-indole-2-carboxylate;210345-56-5;5-Bromoindole-2-carboxylic acid methyl ester;5-bromo-1H-indole-2-carboxylic acid methyl ester;1H-Indole-2-carboxylic acid, 5-bromo-, methyl ester;methyl 5-bromoindole-2-carboxylate;5-Bromoindole-2-carboxylicacidmethylester;SCHEMBL2083218;DTXSID50358760;BBL029494;MFCD01854034;STK504234;AKOS000264683;methyl5-bromo-1H-indole-2-carboxylate;SB13264;AS-19572;SY009127;AM20030332;BB 0259483;CS-0036684;FT-0649475;A823562;A904494;Methyl 5-Bromoindole-2-carboxylate

Chemical Property of methyl 5-bromo-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 3.61E-06mmHg at 25°C
• Melting Point: 211.8-213.6 °C(Solv: toluene (108-88-3))
• Refractive Index: 1.666
• Boiling Point: 386.2 °C at 760 mmHg
• PKA: 14.01±0.30(Predicted)
• Flash Point: 187.3 °C
• Density: 1.629 g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 252.97384
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99%, ^*data from raw suppliers

Methyl5-Bromo-1H-indole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(N1)C=CC(=C2)Br

Technology Process of methyl 5-bromo-1H-indole-2-carboxylate

There total 13 articles about methyl 5-bromo-1H-indole-2-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

methanol (67-56-1) + 5-bromo-2-indolecarboxylic acid (7254-19-5) → 5-bromo-1H-indole-2-carboxylic acid methyl ester (210345-56-5)

Guidance literature:

With sulfuric acid; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.9b02498

Reference yield: 95.0%

(Z)-methyl 3-(2-amino-5-bromophenyl)-2-bromoacrylate (1586740-68-2) → 5-bromo-1H-indole-2-carboxylic acid methyl ester (210345-56-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide; potassium carbonate; In 1,4-dioxane; for 2h; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2013.10.048

Reference yield: 90.0%

C10H8BrN3O2 → 5-bromo-1H-indole-2-carboxylic acid methyl ester (210345-56-5)

Guidance literature:

In toluene; at 200 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2013.01.066

upstream raw materials:

methanol

5-bromo-2-indolecarboxylic acid

4-bromo-2-iodoaniline

methyl 2-[(tert-butoxycarbonyl)amino]acrylate

Downstream raw materials:

ethyl 5-bromo-3-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)-1H-indol-2-ylcarbamate

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