4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid

Base Information

Chemical Name:4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid
CAS No.:110046-40-7
Molecular Formula:C₁₄H₁₁BrO₄S
Molecular Weight:355.209
Hs Code.:
DSSTox Substance ID:DTXSID20911467
Wikidata:Q82881603
ChEMBL ID:CHEMBL1488764

Synonyms:110046-40-7;4-[(4-bromophenyl)sulfonylmethyl]benzoic acid;4-{[(4-bromophenyl)sulfonyl]methyl}benzoic acid;4-(4-Bromo-benzenesulfonylmethyl)-benzoic acid;4-(((4-Bromophenyl)sulfonyl)methyl)benzoic acid;Benzoic acid, 4-(((4-bromophenyl)sulfonyl)methyl)-;4-[[(4-Bromophenyl)sulfonyl]methyl]benzoic acid;CBMicro_037088;MLS000974542;CHEMBL1488764;SCHEMBL23329739;DTXSID20911467;HMS2836I05;AKOS009113155;SMR000496807;BIM-0036925.P001;4-(4-Bromobenzenesulfonylmethyl)-benzoic acid;SR-01000223164;4-[(4-Bromobenzene-1-sulfonyl)methyl]benzoic acid;A1-13795;SR-01000223164-1

Suppliers and Price of 4-{[(4-Bromophenyl)sulfonyl]methyl}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 1 raw suppliers

Chemical Property of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:353.95614
Heavy Atom Count:20
Complexity:427

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

Technology Process of 4-{[(4-Bromophenyl)sulfonyl]methyl}benzoic acid

There total 4 articles about 4-{[(4-Bromophenyl)sulfonyl]methyl}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: 91.0%

: 110046-25-8
4-(4-Bromo-phenylsulfanylmethyl)-benzoic acid

: 110046-40-7
4-<((4'-Bromophenyl)sulfonyl)methyl>benzoic acid

Guidance literature:: With sulfuric acid; dihydrogen peroxide; In acetic acid; for 24h; Heating;
DOI:10.1021/je00050a033

Reference yield: 90.96%

: 117687-55-5
Methyl 4-<((4'-bromophenyl)sulfonyl)methyl>benzoate

: 110046-40-7
4-<((4'-Bromophenyl)sulfonyl)methyl>benzoic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 90 ℃; for 5h;

Reference yield:

: 98-58-8
4-bromobenzenesulfonyl chloride

: 110046-40-7
4-<((4'-Bromophenyl)sulfonyl)methyl>benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydrogencarbonate; sodium sulfite / water / 1 h / 100 °C

2: potassium carbonate / 0.5 h / 120 °C / Microwave irradiation

3: sodium hydroxide; water / methanol / 5 h / 90 °C

With water; sodium hydrogencarbonate; potassium carbonate; sodium hydroxide; sodium sulfite; In methanol; water;