3-Chloro-1-((4-methylphenyl)sulfonyl)acetone

Base Information

• Chemical Name: 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone
• CAS No.: 57122-47-1
• Molecular Formula: C10H11ClO3S
• Molecular Weight: 246.71
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID10398788
• Wikidata: Q82200956
• Mol file: 57122-47-1.mol

Synonyms:3-Chloro-1-((4-methylphenyl)sulfonyl)acetone;57122-47-1;1-chloro-3-(4-methylphenyl)sulfonylpropan-2-one;1-Chloro-3-tosylpropan-2-one;1-chloro-3-(4-methylbenzenesulfonyl)propan-2-one;SCHEMBL14684066;DTXSID10398788;MFCD00045282;AKOS022169915;MS-8823;CS-0358129

Chemical Property of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone

Chemical Property:

• Melting Point: 140oC
• PSA: 59.59000
• LogP: 2.65740
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 246.0117431
• Heavy Atom Count: 15
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-1-((4-methylphenyl)sulfonyl)acetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CCl

Technology Process of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone

There total 6 articles about 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone 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:

sodium 4-methylbenzenesulfinate (824-79-3) + 1,3-Dichloroacetone (534-07-6) → 3-chloro-1-((4-methylphenyl)sulfonyl)acetone (57122-47-1)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1002/bkcs.11302

Reference yield:

4-toluenesulfonylacetone (5366-49-4) → 3-chloro-1-((4-methylphenyl)sulfonyl)acetone (57122-47-1) + 1-chloro-1-p.toluenesulphonylacetone (101246-34-8)

Guidance literature:

With thionyl chloride; dihydrogen peroxide; In acetone; at 20 ℃;

DOI:10.1016/j.tetlet.2006.11.129

Reference yield:

4-toluenesulfonylacetone (5366-49-4) → 3-chloro-1-((4-methylphenyl)sulfonyl)acetone (57122-47-1)

Guidance literature:

With sulfuryl dichloride; benzene; at 30 - 50 ℃;

upstream raw materials:

4-toluenesulfonylacetone

1-bromo-3-(toluene-4-sulfonyl)-acetone

sulfuryl dichloride

benzene

Downstream raw materials:

4-(toluene-4-sulfonylmethyl)-thiazol-2-ylamine

1-[(4-methylphenyl)sulfonyl]undecan-2-one