4'-Iodobiphenyl-3-carboxylic acid

Base Information

Chemical Name:4'-Iodobiphenyl-3-carboxylic acid
CAS No.:57498-62-1
Molecular Formula:C₁₃H₉IO₂
Molecular Weight:324.118
Hs Code.:2916399090
DSSTox Substance ID:DTXSID50567335
Wikidata:Q82453194
Mol file:57498-62-1.mol

Synonyms:4'-IODOBIPHENYL-3-CARBOXYLIC ACID;57498-62-1;3-(4-iodophenyl)benzoic acid;SCHEMBL11345464;DTXSID50567335;MFCD15143486;AKOS015853624;4'-IODOBIPHENYL-3-CARBOXYLICACID;BS-23255;4'-Iodo[1,1'-biphenyl]-3-carboxylic acid;A869661

Suppliers and Price of 4'-Iodobiphenyl-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

TRC
4''-Iodobiphenyl-3-carboxylicacid
100mg
$ 175.00

TRC
4''-Iodobiphenyl-3-carboxylicacid
25mg
$ 70.00

Crysdot
4'-Iodobiphenyl-3-carboxylicacid 95+%
1g
$ 424.00

Alichem
4'-Iodobiphenyl-3-carboxylicacid
1g
$ 423.72

Total 6 raw suppliers

Chemical Property of 4'-Iodobiphenyl-3-carboxylic acid

Chemical Property:

Boiling Point:446.2±38.0 °C(Predicted)
PKA:4.06±0.10(Predicted)
PSA：37.30000
Density:1.711±0.06 g/cm3(Predicted)
LogP:3.65640
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:323.96473
Heavy Atom Count:16
Complexity:246

Purity/Quality:

97% ^*data from raw suppliers

4''-Iodobiphenyl-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)I
Uses 4''-Iodobiphenyl-3-carboxylic acid

Technology Process of 4'-Iodobiphenyl-3-carboxylic acid

There total 2 articles about 4'-Iodobiphenyl-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: 67.0%

: 716-76-7
3-phenylbenzoic acid

: 57498-62-1
4'-iodobiphenyl-3-carboxylic acid

Guidance literature:: With [bis(acetoxy)iodo]benzene; iodine; In acetic anhydride; acetic acid; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.3762/bjoc.8.24

Reference yield:

: 57498-62-1
4'-iodobiphenyl-3-carboxylic acid

Guidance literature:: Methyl-3-biphenylcarboxylat, Jod, KIO3, H2SO4;
DOI:10.1021/ja00855a050

Reference yield:

: 57498-62-1
4'-iodobiphenyl-3-carboxylic acid

: 1374356-05-4
C₆₀H₆₈N₆O₈

Guidance literature:: Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 24 h / 0 - 20 °C / Inert atmosphere

2: copper(l) iodide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triethylamine; triphenylphosphine / N,N-dimethyl-formamide / 72 h / 70 °C / Darkness; Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(l) iodide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; 2: Sonogashira coupling;
DOI:10.3762/bjoc.8.24