methyl 4-chloro-1H-indole-2-carboxylate

Base Information

• Chemical Name: methyl 4-chloro-1H-indole-2-carboxylate
• CAS No.: 230291-43-7
• Molecular Formula: C₁₀H₈ClNO₂
• Molecular Weight: 209.632
• Hs Code.: 2933990090
• European Community (EC) Number: 851-380-7
• Nikkaji Number: J2.475.483I
• Mol file: 230291-43-7.mol

Synonyms:methyl 4-chloro-1H-indole-2-carboxylate;230291-43-7;1H-Indole-2-carboxylic acid, 4-chloro-, Methyl ester;4-Chloro-1H-indole-2-carboxylic acid methyl ester;SCHEMBL5568273;VCWSTLMSXZPPMD-UHFFFAOYSA-N;BBL022336;MFCD04966957;STK688585;AKOS000123953;methyl4-chloro-1H-indole-2-carboxylate;AS-48701;CS-0058757;4-Chloroindole-2-carboxylic acid methyl ester;EN300-173068;F52674;A878357;Z241591192

Chemical Property of methyl 4-chloro-1H-indole-2-carboxylate

Chemical Property:

• Melting Point: 146-147 °C
• Boiling Point: 365.5±22.0 °C(Predicted)
• PKA: 14.07±0.30(Predicted)
• PSA: 42.09000
• Density: 1.381±0.06 g/cm3(Predicted)
• 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

Methyl4-Chloro-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=C2Cl

Technology Process of methyl 4-chloro-1H-indole-2-carboxylate

There total 10 articles about methyl 4-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: 88.0%

Methyl 2-azido-3-(2-chlorophenyl)propenoate → methyl 4-chloro-1H-indole-2-carboxylate (230291-43-7)

Guidance literature:

With 5,10,15,20-tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride; In 1,2-dichloro-ethane; for 30h; Molecular sieve; Reflux; Inert atmosphere;

DOI:10.1039/c0cc01825b

Reference yield: 76.0%

methyl (Z)-2-azido-3-(2-chlorophenyl)prop-2-enoate → methyl 4-chloro-1H-indole-2-carboxylate (230291-43-7)

Guidance literature:

Rh₂(pbf)4; In toluene; at 60 ℃; for 16h;

DOI:10.1021/ja072219k

Reference yield: 72.0%

(Z)-2-(3-Chloro-phenylamino)-3-dimethylamino-acrylic acid methyl ester → methyl 4-chloro-1H-indole-2-carboxylate (230291-43-7) + 6-chloro-2-methoxycarbonylindole (98081-84-6)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1055/s-2006-933135

upstream raw materials:

4-chloro-1H-indole-2-carboxylic acid

methanol

2-chloro-benzaldehyde

(3-chloro-phenylamino)-acetic acid methyl ester

Downstream raw materials:

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

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