5-Chloro-3-methyl-1H-indole-2-carboxylic acid

Base Information

Chemical Name:5-Chloro-3-methyl-1H-indole-2-carboxylic acid
CAS No.:16381-47-8
Molecular Formula:C10H8ClNO2
Molecular Weight:209.632
Hs Code.:2933990090
European Community (EC) Number:801-996-7
DSSTox Substance ID:DTXSID00390251
Wikidata:Q82186784
Mol file:16381-47-8.mol

Synonyms:5-Chloro-3-methyl-1H-indole-2-carboxylic acid;16381-47-8;1H-Indole-2-carboxylic acid, 5-chloro-3-methyl-;SCHEMBL3037898;DTXSID00390251;LSDWHXDEMCMQHP-UHFFFAOYSA-N;MFCD05864560;AKOS000266695;AS-42830;BB 0261984;CS-0313686;FT-0764688;5-Chloro-3-methyl-1 H-indole-2-carboxylic Acid;SR-01000368700;SR-01000368700-1

Suppliers and Price of 5-Chloro-3-methyl-1H-indole-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-Chloro-3-methyl-1H-indole-2-carboxylicAcid
500mg
$ 130.00

Matrix Scientific
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
1g
$ 308.00

Matrix Scientific
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
500mg
$ 188.00

Crysdot
5-Chloro-3-methyl-1H-indole-2-carboxylicacid 95+%
5g
$ 290.00

Chemenu
5-Chloro-3-methyl-1H-indole-2-carboxylicacid 95%+
25g
$ 875.00

Chemenu
5-Chloro-3-methyl-1H-indole-2-carboxylicacid 95%+
5g
$ 291.00

ChemBridge Corporation
5-chloro-3-methyl-1H-indole-2-carboxylicacid 95%
250 mg
$ 64.00

Biosynth Carbosynth
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
2 g
$ 400.00

Biosynth Carbosynth
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
1 g
$ 300.00

Biosynth Carbosynth
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
500 mg
$ 200.00

Total 10 raw suppliers

Chemical Property of 5-Chloro-3-methyl-1H-indole-2-carboxylic acid

Chemical Property:

Vapor Pressure:1.53E-08mmHg at 25°C
Boiling Point:440.7oC at 760 mmHg
Flash Point:220.3oC
PSA：53.09000
Density:1.469g/cm3
LogP:2.82790
Storage Temp.:2-8°C
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:

98%min ^*data from raw suppliers

5-Chloro-3-methyl-1H-indole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O

Technology Process of 5-Chloro-3-methyl-1H-indole-2-carboxylic acid

There total 7 articles about 5-Chloro-3-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%

: 16382-20-0
5-chloro-3-methyl-1H-indole-2-carboxylic acid ethyl ester

: 16381-47-8
5-chloro-3-methyl-1H-indole-2-carboxylic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; for 1h; Heating;
DOI:10.1021/jo971067g

Reference yield:

: 600-18-0
2-Oxobutyric acid

: 1073-69-4
N-4-chlorophenylhydrazine

: 16381-47-8
5-chloro-3-methyl-1H-indole-2-carboxylic acid

Guidance literature:: 2-Oxobutyric acid; N-4-chlorophenylhydrazine; With toluene-4-sulfonic acid; In ethanol; for 20h; Reflux;

With sodium hydroxide; In ethanol; at 40 ℃;
DOI:10.1016/j.bioorg.2020.104260

Reference yield:

: 106-47-8
4-chloro-aniline

: 16381-47-8
5-chloro-3-methyl-1H-indole-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) conc. HCl, aq. NaNO₂, 2.) aq. KOH, 4.) HCl / 1) 0 deg C, 15 min, pH 3-4; 2) ethanol, 0 deg C; 3) ethanol, 0 deg C, 3 h, pH 5-6, 4 deg C, 12 h; 4) ethanol, 78 deg C, 2 h

2: 99 percent / KOH / ethanol; H₂O / 1 h / Heating

With hydrogenchloride; potassium hydroxide; sodium nitrite; In ethanol; water;
DOI:10.1021/jo971067g