Methyl 5-chloro-1H-indole-2-carboxylate

Base Information

• Chemical Name: Methyl 5-chloro-1H-indole-2-carboxylate
• CAS No.: 87802-11-7
• Molecular Formula: C10H8ClNO2
• Molecular Weight: 209.632
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40406441
• Nikkaji Number: J2.303.317H
• Wikidata: Q82211397
• Mol file: 87802-11-7.mol

Synonyms:Methyl 5-chloro-1H-indole-2-carboxylate;87802-11-7;5-Chloroindole-2-carboxylic acid methyl ester;METHYL 5-CHLOROINDOLE-2-CARBOXYLATE;5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER;1H-INDOLE-2-CARBOXYLIC ACID,5-CHLORO-,METHYL ESTER;SCHEMBL3963537;DTXSID40406441;MFCD04972050;AKOS004116680;MB03385;RS-0322;CS-0150776;FT-0720614;C-4625

Chemical Property of Methyl 5-chloro-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.56E-05mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 365.5 °C at 760 mmHg
• Flash Point: 174.8 °C
• PSA: 42.09000
• Density: 1.381 g/cm³
• LogP: 2.60790
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.0243562
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

5-Chloroindole-2-carboxylicacidmethylester ^*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)Cl

Technology Process of Methyl 5-chloro-1H-indole-2-carboxylate

There total 18 articles about Methyl 5-chloro-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: 100.0%

methanol (67-56-1) + 5-chloro-1H-Indole-2-carboxylic acid (10517-21-2) → methyl 5-chloroindole-2-carboxylate (87802-11-7)

Guidance literature:

With thionyl chloride; at 0 ℃;

DOI:10.1055/s-2007-982559

Reference yield: 95.0%

sodium ethyl-5-chloroindole-2-carboxylate → methyl 5-chloroindole-2-carboxylate (87802-11-7)

Guidance literature:

With hydrogenchloride; sodium; In methanol;

Reference yield: 90.0%

C10H8ClN3O2 → methyl 5-chloroindole-2-carboxylate (87802-11-7)

Guidance literature:

With 5,10,15,20-tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride; In 1,2-dichloro-ethane; for 24h; Molecular sieve; Reflux; Inert atmosphere;

DOI:10.1039/c0cc01825b

upstream raw materials:

methanol

5-chloro-1H-Indole-2-carboxylic acid

(Z)-methyl 2-[(4-chlorophenyl)amino]-3-(dimethylamino)acrylate

p-chloro-o-iodoaniline

Downstream raw materials:

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

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

ethyl 5-chloro-3-(1-(3,5-dimethylphenyl)-2,2,2-trifluoro-1-hydroxyethyl)-1H-indol-2-ylcarbamate

5-chloro-1-methyl-1H-indole-2-carboxylic acid