(4-Bromo-2,3-dimethylphenyl)(methyl)sulfane

Base Information

• Chemical Name: (4-Bromo-2,3-dimethylphenyl)(methyl)sulfane
• CAS No.: 250593-00-1
• Molecular Formula: C₉H₁₁BrS
• Molecular Weight: 231.156
• European Community (EC) Number: 875-636-2
• Mol file: 250593-00-1.mol

Synonyms:(4-Bromo-2,3-dimethylphenyl)(methyl)sulfane;250593-00-1;SCHEMBL701678;BKSDMXBOYOULTG-UHFFFAOYSA-N;MFCD32707015;2,3-dimethyl-4-methylthiobromobenzene;2,3-dimethyl-4-methylsulfanyl-bromobenzene;CS-0191944;1-bromo-2,3-dimethyl-4-methylsulfanylbenzene;E95775

Chemical Property of (4-Bromo-2,3-dimethylphenyl)(methyl)sulfane

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 229.97648
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1C)Br)SC

Technology Process of (4-Bromo-2,3-dimethylphenyl)(methyl)sulfane

There total 5 articles about (4-Bromo-2,3-dimethylphenyl)(methyl)sulfane 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: 95.9%

1,2-dimethyl-3-(methylsulfanyl)benzene (66794-10-3) → 2,3-dimethyl-4-methylsulfanylbromobenzene (250593-00-1)

Guidance literature:

With aluminum (III) chloride; bromine; In 1,2-dichloro-ethane; at 60 ℃; for 4h;

DOI:10.1007/s10870-015-0609-8

Reference yield:

tert.-butylnitrite (540-80-7) + Dimethyldisulphide (624-92-0) + 4-bromo-2,3-dimethylaniline (22364-25-6) → 2,3-dimethyl-4-methylsulfanylbromobenzene (250593-00-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

With copper; at 50 - 70 ℃; for 3h;

Reference yield:

2,3-dimethylthioanisole (65516-73-6) → 2,3-dimethyl-4-methylsulfanylbromobenzene (250593-00-1)

Guidance literature:

With bromine; sodium acetate; sodium hydrogencarbonate; In dichloromethane; acetic acid;

upstream raw materials:

4-bromo-2,3-dimethylaniline

copper

2,3-dimethylthioanisole

1,2-dimethyl-3-(methylsulfanyl)benzene

Downstream raw materials:

2,3-dimethyl-4-methanesulfonyl-1-bromobenzene

topramezone

3-(3-bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazole

Refernces

• 1、 -. "Topramezone intermediate and topramezone preparation method". Paragraph 0073-0075. . Retrieved 2020/04/06.
• 2、 He, Zhipeng,Ren, Tiegang,Li, Yongzhe,Fang, Xiaomin. "The Synthesis and Crystal Structure of a Novel Pesticide Intermediates". . p. 419 - 426. Retrieved 2015/10/12.