Phenyl p-tolyl sulfone

Base Information

• Chemical Name: Phenyl p-tolyl sulfone
• CAS No.: 640-57-3
• Molecular Formula: C13H12O2S
• Molecular Weight: 232.303
• Hs Code.: 2904100000
• European Community (EC) Number: 211-364-7
• NSC Number: 633012,91059,2724
• DSSTox Substance ID: DTXSID0060937
• Nikkaji Number: J124.126E
• Wikidata: Q81989235
• ChEMBL ID: CHEMBL453261
• Mol file: 640-57-3.mol

Synonyms:Phenyl p-tolyl sulfone;640-57-3;Benzene, 1-methyl-4-(phenylsulfonyl)-;1-Methyl-4-(phenylsulfonyl)benzene;4-Methylphenyl phenyl sulfone;Sulfone, phenyl p-tolyl;1-(benzenesulfonyl)-4-methylbenzene;4-Methyldiphenylsulfone;p-Tolyl phenyl sulfone;p-(Phenylsulphonyl)toluene;NSC 2724;EINECS 211-364-7;NSC 91059;NSC 633012;BRN 1872872;AI3-08945;NSC633012;4-06-00-02171 (Beilstein Handbook Reference);Phenylp-tolylsulfone;1-Benzenesulfonyl-4-methyl-benzene;1-(benzenesulfonyl)-4-methyl-benzene;phenyl-4-tolyl sulfone;4MePh-SO2-Ph;Phenyl p-tolyl sulphone;4-Methyldiphenyl sulfone;PHENYL 4-TOLYLSULFONE;SCHEMBL891138;CHEMBL453261;DTXSID0060937;Phenyl (4-methylphenyl) sulfone;1-benzenesulfonyl-4-methylbenzene;NSC2724;NSC-2724;NSC91059;MFCD00025038;NSC-91059;1-Methyl-4-(phenylsulfonyl)benzene #;AKOS003678637;NSC-633012;AS-57843;LS-148005;A8796;CS-0153043;FT-0632722;E75917

Chemical Property of Phenyl p-tolyl sulfone

Chemical Property:

• Vapor Pressure: 7.12E-06mmHg at 25°C
• Melting Point: 127-129 °C
• Refractive Index: 1.583
• Boiling Point: 387.9 °C at 760 mmHg
• Flash Point: 229.7 °C
• PSA: 42.52000
• Density: 1.196 g/cm³
• LogP: 3.90860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.05580079
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

PHENYL P-TOLYL SULFONE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
• Uses: p-Methyldiphenyl Sulfone is a derivative of diphenyl sulfone

Technology Process of Phenyl p-tolyl sulfone

There total 191 articles about Phenyl p-tolyl 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: 99.0%

4-tolyl iodide (624-31-7) + sodium benzenesulfonate (873-55-2) → phenyltolylsulfone (640-57-3)

Guidance literature:

With C₁₁H₂₀O₄*2C₁₈H₃₇NO₅; copper(I) bromide; In water; at 100 ℃; for 12h;

DOI:10.1016/j.molliq.2021.117464

Reference yield: 98.0%

iodobenzene (591-50-4) + sodium 4-methylbenzenesulfinate (824-79-3) → phenyltolylsulfone (640-57-3)

Guidance literature:

With C₁₁H₂₀O₄*2C₁₈H₃₇NO₅; copper(I) bromide; In water; at 100 ℃; for 12h;

DOI:10.1016/j.molliq.2021.117464

Reference yield: 95.0%

toluene-4-sulfonic acid phenyl ester (640-60-8) + sodium 4-methylbenzenesulfinate (824-79-3) → phenyltolylsulfone (640-57-3)

Guidance literature:

With tetrakis(actonitrile)copper(I) hexafluorophosphate; In dimethyl sulfoxide; at 120 ℃;

DOI:10.3184/174751914X14117977782502

upstream raw materials:

4-tolyl phenyl sulfide

toluene-4-sulfonic acid phenyl ester

2-(toluene-4-sulfonylamino)-benzoic acid

4-[N-(toluene-4-sulfonyl)-anilino]-butyric acid

Downstream raw materials:

4-(phenylsulfonyl)benzoic acid

2-phenylthiophene

C₁₄H₁₃N₃O₃S₂

10-(4'-methylphenyl)phenothiabismine-5,5-dioxide

Refernces

• 1、 Du, Xian,Li, Yihui,Luo, Yong,Xu, Dejing,Xu, Xiaohong,Xue, Can,Yuan, Han,Zhen, Jingsong. "Visible-Light-Mediated Late-Stage Sulfonylation of Boronic Acids via N-S Bond Activation of Sulfonamides". . p. 1986 - 1991. Retrieved 2022/02/07.
• 2、 Ge, Xin,Lei, Qiuyun,Liao, Xiong,Liu, Xuemin,Song, Weili,Wu, Lei,Wu, Siyuan,Zhou, Shaodong. "On the important transition of sugar-based surfactant as a microreactor for C-S coupling in water: From micelle to vesicle". . . Retrieved 2021/09/15.