5,7-dimethyl-1H-indole-2-carboxylic Acid

Base Information

• Chemical Name: 5,7-dimethyl-1H-indole-2-carboxylic Acid
• CAS No.: 221675-45-2
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.214
• Hs Code.: 2933990090
• European Community (EC) Number: 823-799-5
• Mol file: 221675-45-2.mol

Synonyms:5,7-dimethyl-1H-indole-2-carboxylic Acid;221675-45-2;SCHEMBL3095919;YMOJFBVIUIJKJS-UHFFFAOYSA-N;BBL020802;MFCD02664421;STK893492;AKOS001476269;NCGC00340884-01;5,7-dimethyl-1H-indole-2-carboxylicAcid;VS-07120;BB 0248934;E77280;EN300-336955;AB01333701-02;5,7-Dimethyl-1H-indole-2-carboxylic acid, AldrichCPR;Z415743248

Chemical Property of 5,7-dimethyl-1H-indole-2-carboxylic Acid

Chemical Property:

• PSA: 53.09000
• LogP: 2.48290
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

5,7-dimethyl-1H-indole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)C=C(N2)C(=O)O)C

Technology Process of 5,7-dimethyl-1H-indole-2-carboxylic Acid

There total 2 articles about 5,7-dimethyl-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: 99.0%

methyl 4,6-H-indole-2-carboxylate (59549-49-4) → 5,7-dimethyl-1H-indole-2-carboxylic acid (221675-45-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h; Reflux;

DOI:10.1016/j.bmc.2017.05.015

Reference yield:

(3,5-dimethylphenyl)hydrazine hydrochloride (60481-36-9) → 5,7-dimethyl-1H-indole-2-carboxylic acid (221675-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / ethanol / 6 h / Reflux

2: sodium hydroxide / ethanol / 3 h / Reflux

With toluene-4-sulfonic acid; sodium hydroxide; In ethanol;

DOI:10.1016/j.bmc.2017.05.015

Reference yield: 61.0%

m-chlorobenzylamine (4152-90-3) + 5,7-dimethyl-1H-indole-2-carboxylic acid (221675-45-2) → N-(3-chlorobenzyl)-4,6-dimethyl-1H-indole-2-carboxamide

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2017.05.015

upstream raw materials:

methyl 4,6-H-indole-2-carboxylate

(3,5-dimethylphenyl)hydrazine hydrochloride

Downstream raw materials:

N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide

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