1-(4-fluorobenzyl)-1H-indole-3-carboxylic acid

Base Information

Chemical Name:1-(4-fluorobenzyl)-1H-indole-3-carboxylic acid
CAS No.:226883-79-0
Molecular Formula:C₁₆H₁₂FNO₂
Molecular Weight:269.275
Hs Code.:
DSSTox Substance ID:DTXSID501342135
Nikkaji Number:J3.331.295D

Synonyms:1-(4-fluorobenzyl)-1H-indole-3-carboxylic acid;226883-79-0;1-[(4-fluorophenyl)methyl]indole-3-carboxylic acid;1-[(4-fluorophenyl)methyl]-1H-indole-3-carboxylic acid;FUB-PB-22 3-Carboxyindole;DTXSID501342135;MFCD06617042;STK523474;AKOS000262502;FUB-PB-22 3-carboxyindole metabolite;UNM-0000305944;CS-0063724;UNM000011076501;E83918

Suppliers and Price of 1-(4-fluorobenzyl)-1H-indole-3-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

Total 2 raw suppliers

Chemical Property of 1-(4-fluorobenzyl)-1H-indole-3-carboxylic acid

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:269.08520679
Heavy Atom Count:20
Complexity:354

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C(=O)O

Technology Process of 1-(4-fluorobenzyl)-1H-indole-3-carboxylic acid

There total 10 articles about 1-(4-fluorobenzyl)-1H-indole-3-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: 79.0%

: 449742-55-6
methyl 1-(p-fluorobenzyl)-1H-indole-3-carboxylate

: 226883-79-0
1-(p-fluorobenzyl)-1H-indole-3-carboxylic acid

Guidance literature:: With sodium hydroxide; In methanol; at 65 ℃; for 2h;

Reference yield: 45.0%

: 192997-23-2
1?(4?fluorobenzyl)?1H?indole?3?carbaldehyde

: 226883-79-0
1-(p-fluorobenzyl)-1H-indole-3-carboxylic acid

Guidance literature:: With potassium permanganate; In acetone; for 16h; Ambient temperature;
DOI:10.1016/S0223-5234(99)80044-0

Reference yield:

: 120-72-9
indole

: 226883-79-0
1-(p-fluorobenzyl)-1H-indole-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / 0 °C / Inert atmosphere

1.2: 1 h / 0 - 20 °C / Inert atmosphere

1.3: 1 h / 0 - 20 °C / Inert atmosphere

2.1: sodium hydroxide; water / methanol / 18 h / Reflux; Inert atmosphere

With water; sodium hydride; sodium hydroxide; In methanol; N,N-dimethyl-formamide; mineral oil;
DOI:10.1021/acschemneuro.7b00267