1-benzyl-1H-indole-6-carboxylic acid

Base Information

Chemical Name:1-benzyl-1H-indole-6-carboxylic acid
CAS No.:1030423-79-0
Molecular Formula:C16H13NO2
Molecular Weight:251.27992
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90591694
Wikidata:Q82485532
Mol file:1030423-79-0.mol

Synonyms:1-benzyl-1H-indole-6-carboxylic acid;1030423-79-0;1-benzylindole-6-carboxylic acid;MFCD11501625;SCHEMBL6179658;DTXSID90591694;GUVFJEFCCHRILL-UHFFFAOYSA-N;1-benzyl-1H-indole-6-carboxylicacid;BBL031921;STK802392;AKOS005622467;AM807696;VS-10851;DB-363268;CS-0205831;E83283;A896633

Suppliers and Price of 1-benzyl-1H-indole-6-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

Matrix Scientific
1-Benzyl-1H-indole-6-carboxylic acid
1g
$ 300.00

Matrix Scientific
1-Benzyl-1H-indole-6-carboxylic acid
0.500g
$ 240.00

Matrix Scientific
1-Benzyl-1H-indole-6-carboxylic acid
5g
$ 1000.00

Crysdot
1-Benzyl-1H-indole-6-carboxylicacid 95+%
1g
$ 402.00

Chemenu
1-Benzyl-1H-indole-6-carboxylicacid 95%
1g
$ 380.00

Alichem
1-Benzyl-1H-indole-6-carboxylicacid
1g
$ 400.00

Total 7 raw suppliers

Chemical Property of 1-benzyl-1H-indole-6-carboxylic acid

Chemical Property:

PSA：42.23000
LogP:3.38780
Storage Temp.:2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:251.094628657
Heavy Atom Count:19
Complexity:325

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-1H-indole-6-carboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)O

Technology Process of 1-benzyl-1H-indole-6-carboxylic acid

There total 4 articles about 1-benzyl-1H-indole-6-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:

: 192997-33-4
methyl 1-benzyl-1H-indole-6-carboxylate

: 1030423-79-0
1-benzyl-1H-indole-6-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In ethanol; at 50 ℃; for 18h;

Reference yield:

: 50820-65-0
indole-6-carboxylic acid methyl ester

: 1030423-79-0
1-benzyl-1H-indole-6-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 20 °C

1.2: 3 h / 20 °C

2.1: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 2 h / 20 °C

With lithium hydroxide monohydrate; sodium hydride; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2020.112869

Reference yield:

: 100-39-0
benzyl bromide

: 1030423-79-0
1-benzyl-1H-indole-6-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 20 °C

1.2: 3 h / 20 °C

2.1: lithium hydroxide monohydrate / water; methanol; tetrahydrofuran / 2 h / 20 °C

With lithium hydroxide monohydrate; sodium hydride; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2020.112869