4-(4-Methylphenylthio)benzophenone

Base Information

• Chemical Name: 4-(4-Methylphenylthio)benzophenone
• CAS No.: 83846-85-9
• Deprecated CAS: 2485041-50-5
• Molecular Formula: C20H16OS
• Molecular Weight: 304.412
• Hs Code.: 2930909090
• European Community (EC) Number: 281-064-9
• DSSTox Substance ID: DTXSID10888614
• Nikkaji Number: J208.132F
• Wikidata: Q72495418
• Mol file: 83846-85-9.mol

Synonyms:83846-85-9;4-(4-Methylphenylthio)benzophenone;4-(p-Tolylthio)benzophenone;Phenyl(4-(p-tolylthio)phenyl)methanone;4-Benzoyl 4'-Methyldiphenyl Sulfide;[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone;4-Methyl-4'-benzoyldiphenyl sulfide;C20H16OS;4-benzoyl-4'-methyldiphenyl sulfide;Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-;{4-[(4-methylphenyl)sulfanyl]phenyl}(phenyl)methanone;4-(p-Tolylthio)-benzophenone;{4-[(4-Methylphenyl)thio]phenyl}(phenyl)methanone;EINECS 281-064-9;26960-79-2;Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-;Quantacure BMS;Quantacure DMS;Kayacure BMS;SCHEMBL51730;4-(p-tolylthio) benzophenone;DTXSID10888614;4-Methyl-4-benzoyldiphenylsulfide;Phenyl (p-tolylthio)phenyl ketone;4-Benzoyl 4'methyldiphenyl sulfide;C20-H16-O-S;MFCD00055651;STK332367;4-benzoyl-4'-methyl diphenyl sulfide;4-Benzoyl 4\'-Methyldiphenyl Sulfide;AKOS005440312;CCG-245131;CS-W013966;AC-16499;AS-61693;B1267;FT-0617633;H11336;[4-[(4-methylphenyl)thio]phenyl]-phenylmethanone;A840666;[4-(4-methylphenyl)sulfanylphenyl]-phenyl-methanone;W-104133;BRD-K50367503-001-01-7;(4-[(4-Methylphenyl)sulfanyl]phenyl)(phenyl)methanone #

Chemical Property of 4-(4-Methylphenylthio)benzophenone

Chemical Property:

• Vapor Pressure: 2.72E-09mmHg at 25°C
• Melting Point: 73 °C
• Refractive Index: 1.661
• Boiling Point: 477.8 °C at 760 mmHg
• Flash Point: 270.9 °C
• PSA: 42.37000
• Density: 1.2 g/cm³
• LogP: 5.37720
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: 7.38μg/L at 20℃
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 304.09218630
• Heavy Atom Count: 22
• Complexity: 345

Purity/Quality:

＞99% ^*data from raw suppliers

4-Benzoyl 4'-Methyldiphenyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
• Uses: A reagent for high performance polymer research.

Technology Process of 4-(4-Methylphenylthio)benzophenone

There total 11 articles about 4-(4-Methylphenylthio)benzophenone 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: 90.0%

(4-bromophenyl)(phenyl)methanone (90-90-4) + para-thiocresol (106-45-6) → 4-[(4-methylphenyl)sulfanyl]benzophenone (83846-85-9)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 25 ℃; for 1h; Irradiation; Inert atmosphere;

DOI:10.1021/jacs.7b07390

Reference yield: 90.0%

4-tolyl phenyl sulfide (3699-01-2) + benzoyl chloride (98-88-4) → 4-[(4-methylphenyl)sulfanyl]benzophenone (83846-85-9)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 0 - 10 ℃;

Reference yield: 85.0%

phenyl(4-(p-tolylsulfinyl)phenyl)methanone → 4-[(4-methylphenyl)sulfanyl]benzophenone (83846-85-9)

Guidance literature:

With Tebbe reagent; In tetrahydrofuran; at -40 - 0 ℃; for 1h;

DOI:10.1002/1521-3773(20000717)39:14<2529::AID-ANIE2529>3.0.CO;2-E

upstream raw materials:

4-chlorobenzophenone

para-thiocresol

S-(4-methylphenyl) thiobenzoate

[4-(4-Chloro-phenoxy)-phenyl]-phenyl-methanone

Downstream raw materials:

p-<(p-methylphenyl)sulfonyl>benzophenone

2-(4-methylphenyl)-1,3-benzoxazole

(4-(benzoxazol-2-yl)phenyl)(phenyl)methanone

Refernces

• 1、 Kang, Jun-Chen,Li, Zi-Hao,Chen, Chao,Dong, Li-Kun,Zhang, Shu-Yu. "Paired Electrolysis Enabled Ni-Catalyzed Unconventional Cascade Reductive Thiolation Using Sulfinates". supporting information. p. 15326 - 15334. Retrieved 2021/10/25.
• 2、 Liu, Dong,Ma, Hong-Xing,Fang, Ping,Mei, Tian-Sheng. "Nickel-Catalyzed Thiolation of Aryl Halides and Heteroaryl Halides through Electrochemistry". supporting information. p. 5033 - 5037. Retrieved 2019/03/13.