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

Base Information

• Chemical Name: 4-Methyl-1H-indole-2-carboxylic acid
• CAS No.: 18474-57-2
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Hs Code.: 2933990090
• European Community (EC) Number: 692-295-3
• DSSTox Substance ID: DTXSID10397998
• Wikidata: Q72491935
• Mol file: 18474-57-2.mol

Synonyms:4-Methyl-1H-indole-2-carboxylic acid;18474-57-2;4-Methylindole-2-carboxylic acid;Indole-2-carboxylic acid, 4-methyl-;MFCD02664476;1H-Indole-2-carboxylic acid, 4-methyl-;SCHEMBL3110629;DTXSID10397998;QMSCXKCJGFIXDF-UHFFFAOYSA-N;AMY14047;BBL020581;STK893270;4-Methyl-1H-indole-2-carboxylicacid;AKOS000118397;AC-9841;AS-5465;CS-W005497;NCGC00337417-01;SY037268;BB 0248961;FT-0637704;EN300-15103;A22132;AB01330548-02;4-Methyl-1H-indole-2-carboxylic acid, AldrichCPR;J-521532;Z119989626

Chemical Property of 4-Methyl-1H-indole-2-carboxylic acid

Chemical Property:

• Boiling Point: 419.903 °C at 760 mmHg
• PKA: 4.53±0.30(Predicted)
• Flash Point: 207.75 °C
• PSA: 53.09000
• Density: 1.341 g/cm³
• LogP: 2.17450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-1H-indole-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C(NC2=CC=C1)C(=O)O
• Uses: 4-Methyl-1H-indole-2-carboxylic Acid is used in preparation of novel indole-2-carboxamides active against hepatitis B virus (HBV).

Technology Process of 4-Methyl-1H-indole-2-carboxylic acid

There total 5 articles about 4-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: 99.0%

1-(3-cyano-benzyl)-4-methyl-1H-indole-2-carboxylic acid ethyl ester → 4-methyl-1H-indole-2-carboxylic acid (18474-57-2)

Guidance literature:

With sodium hydroxide;

Reference yield:

methyl 4-methyl-1H-indole-2-carboxylate (136831-13-5) → 4-methyl-1H-indole-2-carboxylic acid (18474-57-2)

Guidance literature:

With potassium hydroxide;

Reference yield:

(2-methyl-6-nitro-phenyl)-pyruvic acid (70467-01-5) → 4-methyl-1H-indole-2-carboxylic acid (18474-57-2)

Guidance literature:

With ammonium hydroxide; iron(II) hydroxide;

upstream raw materials:

(2-methyl-6-nitro-phenyl)-pyruvic acid

2,3-dimethylnitrobenzene

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

4-methyl-1H-indole-2-carboxylic acid ethyl ester

Downstream raw materials:

4-methyl-1H-indole-2-carboxylic acid ethyl ester

4-methyl-1H-indole

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

1-(3-cyano-benzyl)-4-methyl-1H-indole-2-carboxylic acid (4-dimethylamino)-benzyl amide

Refernces

• 1、 -. "Anti-aids piperazines". . . Retrieved 2008/06/13.