4-Toluenesulfonylacetone

Base Information

• Chemical Name: 4-Toluenesulfonylacetone
• CAS No.: 5366-49-4
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• Hs Code.: 2914399090
• European Community (EC) Number: 226-353-2
• DSSTox Substance ID: DTXSID20201895
• Nikkaji Number: J124.115J
• Mol file: 5366-49-4.mol

Synonyms:5366-49-4;4-Toluenesulfonylacetone;1-Tosylpropan-2-one;1-[(4-Methylphenyl)sulfonyl]acetone;p-Toluenesulfonylacetone;1-(p-Tolylsulfonyl)-2-propanone;1-(4-methylphenyl)sulfonylpropan-2-one;2-Propanone, 1-(p-tolylsulfonyl)-;(p-Tolylsulphonyl)acetone;1-(4-methylbenzenesulfonyl)propan-2-one;2-Propanone, 1-[(4-methylphenyl)sulfonyl]-;EINECS 226-353-2;1-((4-methylphenyl)sulfonyl)acetone;2-Propanone, 1-((4-methylphenyl)sulfonyl)-;Tosylaceton;1-tosylacetone;(p-Tolylsulfonyl)acetone;Maybridge1_000204;SCHEMBL455924;HMS542B06;DTXSID20201895;MFCD00026240;STK500442;AKOS003245263;1-(Toluene-4-sulfonyl)-propan-2-one;FS-1060;1-(4-methylphenylsulfonyl)-2-propanone;1-(toluene-4-sulfonyl)-propane-2-one;1-[(4-Methylphenyl)sulfonyl]acetone #;1-[(4-methylphenyl)sulfonyl]propan-2-one;FT-0604677;EN300-75879;F17154;A829717;Z57600574

Chemical Property of 4-Toluenesulfonylacetone

Chemical Property:

• Vapor Pressure: 5.88E-06mmHg at 25°C
• Melting Point: 52 °C
• Refractive Index: 1.522
• Boiling Point: 379.4 °C at 760 mmHg
• Flash Point: 229 °C
• PSA: 59.59000
• Density: 1.195 g/cm³
• LogP: 2.43850
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

1-[(4-Methylphenyl)sulfonyl]acetone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Toluenesulfonylacetone

There total 29 articles about 4-Toluenesulfonylacetone 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: 98.0%

sodium 4-methylbenzenesulfinate (824-79-3) + chloroacetone (78-95-5) → 4-toluenesulfonylacetone (5366-49-4)

Guidance literature:

DOI:10.1039/b413379j

Reference yield: 95.0%

sodium 4-methylbenzenesulfinate (824-79-3) + 1-bromoacetone (598-31-2) → 4-toluenesulfonylacetone (5366-49-4)

Guidance literature:

With PEG-400; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2006.03.181

Reference yield: 95.0%

p-tolylsulfonylallene (16192-08-8) → 4-toluenesulfonylacetone (5366-49-4)

Guidance literature:

In chloroform; for 0.5h; Heating;

DOI:10.3762/bjoc.14.268

upstream raw materials:

1-(4-methylphenylsulfonyl)propan-2-ol

sodium 4-methylbenzenesulfinate

chloroacetone

1-bromoacetone

Downstream raw materials:

1-methylsulfanyl-1-(toluene-4-sulfonyl)-acetone

Methyl p-tolyl sulfone

1-ethylsulfanyl-1-(toluene-4-sulfonyl)-acetone

1-benzenesulfonyl-1-methylsulfanyl-acetone

Refernces

• 1、 -. "Method for synthesizing beta-carbonyl sulfone compound". Paragraph 0016; 0017. . Retrieved 2019/06/13.
• 2、 Du, Bingnan,Wang, Wenmin,Wang, Yang,Qi, Zhenghang,Tian, Jiaqi,Zhou, Jie,Wang, Xiaochen,Han, Jianlin,Ma, Jing,Pan, Yi. "Copper-Catalyzed Oxidative Reaction of β-Keto Sulfones with Alcohols via C?S Bond Cleavage: Reaction Development and Mechanism Study". supporting information. p. 404 - 408. Retrieved 2018/02/21.