5-chloro-7-methyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 5-chloro-7-methyl-1H-indole-2-carboxylic acid
• CAS No.: 15936-74-0
• Molecular Formula: C₁₀H₈ClNO₂
• Molecular Weight: 209.632
• European Community (EC) Number: 867-612-5
• Mol file: 15936-74-0.mol

Synonyms:5-chloro-7-methyl-1H-indole-2-carboxylic acid;15936-74-0;1H-Indole-2-carboxylic acid, 5-chloro-7-methyl-;MFCD06737780;5-Chloro-7-methylindole-2-carboxylic Acid;SCHEMBL22396281;AKOS005144091;DS-10080;SY040461;EN300-61872;5-CHLORO-7-METHYL-1H-INDOLE-2-CARBOXYLICACID;Z975786062

Chemical Property of 5-chloro-7-methyl-1H-indole-2-carboxylic acid

Chemical Property:

• Melting Point: 272 °C
• Boiling Point: 447.9±40.0 °C(Predicted)
• PKA: 4.30±0.30(Predicted)
• Density: 1.469±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.0243562
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-7-methyl-1H-indole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1NC(=C2)C(=O)O)Cl

Technology Process of 5-chloro-7-methyl-1H-indole-2-carboxylic acid

There total 3 articles about 5-chloro-7-methyl-1H-indole-2-carboxylic acid 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:

ethyl 5-chloro-7-methyl-1H-indole-2-carboxylate (15936-71-7) → 5-chloro-7-methyl-1H-indole-2-carboxylic acid (15936-74-0)

Guidance literature:

ethyl 5-chloro-7-methyl-1H-indole-2-carboxylate; With lithium hydroxide; In ethanol; water; for 16h;

In ethanol; water; pH=4; Acidic conditions;

DOI:10.1016/j.ejmech.2012.06.016

Reference yield:

(4-chloro-2-methylphenyl)hydrazine (58791-94-9) → 5-chloro-7-methyl-1H-indole-2-carboxylic acid (15936-74-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: toluene-4-sulfonic acid / toluene / 14 h / Reflux

1.2: 20 °C / Saturated solution

2.1: lithium hydroxide / ethanol; water / 16 h

2.2: pH 4 / Acidic conditions

With toluene-4-sulfonic acid; lithium hydroxide; In ethanol; water; toluene; 1.1: Fischer indole synthesis;

DOI:10.1016/j.ejmech.2012.06.016

Reference yield:

→ 5-chloro-7-methyl-1H-indole-2-carboxylic acid (15936-74-0)

Guidance literature:

5-Chlor-7-methyl-indol-2-carbonsaeureethylester, KOH;

DOI:10.1007/BF00901384

upstream raw materials:

(4-chloro-2-methylphenyl)hydrazine

ethyl 5-chloro-7-methyl-1H-indole-2-carboxylate

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