3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic acid

Base Information

Chemical Name:3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic acid
CAS No.:835595-02-3
Molecular Formula:C16H11Cl2NO2
Molecular Weight:320.175
Hs Code.:
DSSTox Substance ID:DTXSID20457077
Wikidata:Q82279777

Synonyms:835595-02-3;3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic acid;SCHEMBL5790230;Benzoic acid, 3-(5,6-dichloro-1-methyl-1H-indol-2-yl)-;DTXSID20457077;FT-0747472

Suppliers and Price of 3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic 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

Total 2 raw suppliers

Chemical Property of 3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic acid

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:319.0166840
Heavy Atom Count:21
Complexity:406

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CC2=CC(=C(C=C21)Cl)Cl)C3=CC(=CC=C3)C(=O)O

Technology Process of 3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic acid

There total 8 articles about 3-(5,6-dichloro-1-methyl-1H-indol-2-yl)Benzoic 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: 90.0%

: 3-(5,6-dichloro-1-methylindol-2-yl)benzoic acid ethyl ester

: 835595-02-3
3-(5,6-dichloro-1-methylindol-2-yl)benzoic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol; water; for 3.5h; Heating / reflux;

Reference yield:

: 220185-63-7
4,5-dichloro-2-iodobenzenamine

: 835595-02-3
3-(5,6-dichloro-1-methylindol-2-yl)benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: copper(l) iodide; triethylamine / bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 3.5 h / 20 °C

2.1: dichloro bis(acetonitrile) palladium(II) / acetonitrile / 3 h / 65 °C

3.1: sodium hydride / dimethyl sulfoxide / 0.75 h / 45 °C

3.2: 0.5 h / 20 °C

4.1: sodium hydroxide / tetrahydrofuran; ethanol; water / 3.5 h / Heating / reflux

With sodium hydroxide; copper(l) iodide; sodium hydride; triethylamine; bis-triphenylphosphine-palladium(II) chloride; dichloro bis(acetonitrile) palladium(II); In tetrahydrofuran; ethanol; water; dimethyl sulfoxide; acetonitrile;

Reference yield:

: 58313-23-8
3-iodobenzoic acid methyl ester

: 835595-02-3
3-(5,6-dichloro-1-methylindol-2-yl)benzoic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: copper(l) iodide; triethylamine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 0 - 90 °C

2.1: potassium carbonate / methanol / 3 h / 20 °C

3.1: copper(l) iodide; triethylamine / bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 3.5 h / 20 °C

4.1: dichloro bis(acetonitrile) palladium(II) / acetonitrile / 3 h / 65 °C

5.1: sodium hydride / dimethyl sulfoxide / 0.75 h / 45 °C

5.2: 0.5 h / 20 °C

6.1: sodium hydroxide / tetrahydrofuran; ethanol; water / 3.5 h / Heating / reflux

With sodium hydroxide; copper(l) iodide; sodium hydride; potassium carbonate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; dichloro bis(acetonitrile) palladium(II); tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; ethanol; water; dimethyl sulfoxide; acetonitrile;