2-(7-methyl-1H-indol-3-yl)acetic acid

Base Information

• Chemical Name: 2-(7-methyl-1H-indol-3-yl)acetic acid
• CAS No.: 5435-36-9
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.2105
• Hs Code.: 2933998090
• European Community (EC) Number: 837-633-4
• NSC Number: 21427
• DSSTox Substance ID: DTXSID70281369
• Nikkaji Number: J775.403E
• Wikidata: Q82015270
• ChEMBL ID: CHEMBL232893
• Mol file: 5435-36-9.mol

Synonyms:2-(7-methyl-1H-indol-3-yl)acetic acid;5435-36-9;7-methylindole-3-acetic acid;MFCD00047183;NSC21427;7-Methyl-indole-3-acetic acid;CHEMBL232893;SCHEMBL6284097;DTXSID70281369;7-METHYLINDOLE-3-ACETICACID;AC6333;NSC-21427;AKOS005259024;PS-18142;SY058614;CS-0217768;FT-0621456;EN300-84053;M-3990;A924119;F2169-0464;Z1198148795

Chemical Property of 2-(7-methyl-1H-indol-3-yl)acetic acid

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• Melting Point: >183°C (Dec.)
• Boiling Point: 413.8°Cat760mmHg
• Flash Point: 204°C
• PSA: 53.09000
• Density: 1.299g/cm³
• LogP: 2.10340
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

7-Methylindole-3-aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C(=CN2)CC(=O)O
• Uses: 7-Methylindole-3-acetic Acid is a useful reagent for the preparation of indole-acetamide derivatives for treating mitochondrial dysfunction.

Technology Process of 2-(7-methyl-1H-indol-3-yl)acetic acid

There total 1 articles about 2-(7-methyl-1H-indol-3-yl)acetic 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: 79.0%

→ 7-methylindole-3-acetic acid (5435-36-9)

Guidance literature:

With morpholine; sulfur; at 120 ℃; for 8h;

With sodium hydroxide; In ethanol; for 4h; Reflux;