Methyl 4-bromo-3-(chlorosulfonyl)benzoate

Base Information Edit

Chemical Name:Methyl 4-bromo-3-(chlorosulfonyl)benzoate
CAS No.:168969-13-9
Molecular Formula:C₈H₆BrClO₄S
Molecular Weight:313.556
Hs Code.:
European Community (EC) Number:832-209-5
Mol file:168969-13-9.mol

Synonyms:methyl 4-bromo-3-(chlorosulfonyl)benzoate;168969-13-9;methyl 4-bromo-3-chlorosulfonylbenzoate;methyl 4-bromo-3-chlorosulfonyl-benzoate;SCHEMBL9084678;ZGWQJOHDTZYTQW-UHFFFAOYSA-N;MFCD12169456;AKOS009469250;methyl4-bromo-3-(chlorosulfonyl)benzoate;DB-221134;CS-0250638;EN300-51711;G32149

Suppliers and Price of Methyl 4-bromo-3-(chlorosulfonyl)benzoate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Methyl 4-bromo-3-(chlorosulfonyl)benzoate Edit

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:311.88587
Heavy Atom Count:15
Complexity:337

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)Cl

Technology Process of Methyl 4-bromo-3-(chlorosulfonyl)benzoate

There total 3 articles about Methyl 4-bromo-3-(chlorosulfonyl)benzoate 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: 100.0%

: 67-56-1
methanol

: 50803-23-1
4-bromo-3-(chlorosulfonyl)benzoic acid

: 168969-13-9
2-bromo-5-carbomethoxybenzenesulfonyl chloride

Guidance literature:: 4-bromo-3-(chlorosulfonyl)benzoic acid; With thionyl chloride; at 20 ℃; for 16h; Inert atmosphere;

methanol; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.9b00293

Reference yield:

: 50803-23-1
4-bromo-3-(chlorosulfonyl)benzoic acid

: 168969-13-9
2-bromo-5-carbomethoxybenzenesulfonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 3 h / 80 °C

2: toluene / 2 h / 110 °C

With thionyl chloride; In toluene;

Reference yield:

: 586-76-5
4-Bromobenzoic acid

: 168969-13-9
2-bromo-5-carbomethoxybenzenesulfonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1.1: chlorosulfonic acid / 12 h / 100 °C

2.1: thionyl chloride / 3 h / 80 °C

2.2: 2 h / 80 - 110 °C

With chlorosulfonic acid; thionyl chloride;