O,p'-ditolyl sulfone

Base Information

• Chemical Name: O,p'-ditolyl sulfone
• CAS No.: 41908-97-8
• Molecular Formula: C14H14O2S
• Molecular Weight: 246.33
• Hs Code.: 2904100000
• UNII: 586GQD08LV
• DSSTox Substance ID: DTXSID20194677
• Nikkaji Number: J48.757K
• Wikidata: Q27261561
• Mol file: 41908-97-8.mol

Synonyms:O,p'-ditolyl sulfone;41908-97-8;o-Tolyl p-tolyl sulfone;Sulfone, o-tolyl p-tolyl;BRN 2051927;2,4'-Dimethyldifenylsulfon [Czech];2,4'-Dimethyldifenylsulfon;UNII-586GQD08LV;586GQD08LV;3-06-00-01404 (Beilstein Handbook Reference);2-tolyl-4-tolylsulfone;p-Tolyl o-tolyl sulfone;SCHEMBL8964467;DITOLYL SULFONE, O,P'-;DTXSID20194677;LS-148006;Benzene, 1-methyl-2-[(4-methylphenyl)sulfonyl]-;1-METHYL-2-(4-METHYLPHENYL) SULFONYL-BENZENE;Q27261561

Chemical Property of O,p'-ditolyl sulfone

Chemical Property:

• Vapor Pressure: 2.4E-06mmHg at 25°C
• Boiling Point: 403.3°Cat760mmHg
• Flash Point: 238.8°C
• PSA: 42.52000
• Density: 1.171g/cm³
• LogP: 4.21700
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.07145086
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2C

Technology Process of O,p'-ditolyl sulfone

There total 30 articles about O,p'-ditolyl sulfone 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: 93.0%

2-Methylphenylboronic acid (16419-60-6) + p-toluenesulfonyl chloride (98-59-9) → o-tolyl-p-tolyl sulfone (41908-97-8)

Guidance literature:

With potassium carbonate; palladium dichloride; In acetone; at 25 ℃; for 1h;

DOI:10.1021/ol049692c

Reference yield: 85.0%

ortho-methylphenyl iodide (615-37-2) + sodium 4-methylbenzenesulfinate (824-79-3) → o-tolyl-p-tolyl sulfone (41908-97-8)

Guidance literature:

With potassium acetate; In water; dimethyl sulfoxide; at 120 ℃; for 24h; Sealed tube; Green chemistry;

DOI:10.1039/c4gc00161c

Reference yield: 80.0%

2-Methylphenylboronic acid (16419-60-6) + sodium 4-methylbenzenesulfinate (824-79-3) → o-tolyl-p-tolyl sulfone (41908-97-8)

Guidance literature:

With 1,10-Phenanthroline; 4 A molecular sieve; oxygen; copper diacetate; In dichloromethane; dimethyl sulfoxide; at 40 ℃; for 72h; atmospheric pressure;

DOI:10.1016/j.tet.2007.05.029

upstream raw materials:

toluene

Toluene-2-sulfonyl chloride

Benzoesaeure-fluorsulfonsaeureanhydrid

Ethyl p-toluenesulfinate

Refernces

• 1、 Ding, Hao,Ding, Qiuping,Du, Xian,Li, Yi-Hui,Liu, Bing-Zhe,Lu, Shi-Man,Luo, Yong,Qi, Wan-Ying,Xu, Xiao-Hong,Xue, Can,Yuan, Han,Zhen, Jing-Song. "Catalyst-free arylation of sulfonamidesviavisible light-mediated deamination". . p. 9556 - 9560. Retrieved 2021/07/25.
• 2、 Zhao, Fengqian,Wu, Xiao-Feng. "Sulfonylation of Bismuth Reagents with Sulfinates or SO2through BiIII/BiV Intermediates". supporting information. p. 2400 - 2404. Retrieved 2021/07/28.