2-Bromobenzenesulfinic acid

Base Information

• Chemical Name: 2-Bromobenzenesulfinic acid
• CAS No.: 89581-50-0
• Molecular Formula: C₆H₅BrO₂S
• Molecular Weight: 221.075
• DSSTox Substance ID: DTXSID801309936
• Mol file: 89581-50-0.mol

Synonyms:2-bromobenzenesulfinic acid;89581-50-0;SCHEMBL499420;DTXSID801309936

Chemical Property of 2-Bromobenzenesulfinic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 219.91936
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Bromobenzenesulfinic acid

There total 3 articles about 2-Bromobenzenesulfinic 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: 88.4%

o-bromobenzenesulfonyl chloride (2905-25-1) → ortho-bromobenzenesulfinic acid (89581-50-0)

Guidance literature:

With sodium carbonate; sodium sulfite; In water; at 30 ℃; for 3h; Temperature; Inert atmosphere;

Reference yield:

o-bromobenzenediazonium (17333-81-2) → ortho-bromobenzenesulfinic acid (89581-50-0)

Guidance literature:

With sulfuric acid; sulfur dioxide; copper;

Reference yield:

2-bromoaniline (615-36-1) → ortho-bromobenzenesulfinic acid (89581-50-0)

Guidance literature:

With sulfuric acid; sulfur dioxide; copper; sodium nitrite; Yield given; Multistep reaction; 1.) 0 deg C, 2.) -25 deg C, 1 h;

DOI:10.1016/S0957-4166(99)00078-6

upstream raw materials:

o-bromobenzenediazonium

2-bromoaniline

o-bromobenzenesulfonyl chloride

Downstream raw materials:

vortioxetine

Vortioxetine hydrobromide

Refernces

• 1、 Liu, Qi,Mei, Yousheng,Wang, Lei,Ma, Yongmin,Li, Pinhua. "Visible-Light-Induced Radical Cascade Cyclizations of 1,7-Enynes with Sulfinic Acids: Direct Access to Sulfonated Chromanes and Sulfonated Tetrahydroquinolines under Metal-Free Conditions". supporting information. p. 5669 - 5680. Retrieved 2020/10/28.
• 2、 Imboden, Christoph,Renaud, Philippe. "Preparation of optically active ortho-chloro- and ortho-bromophenyl sulfoxides". . p. 1051 - 1060. Retrieved 2007/10/03.