2-(4-Methylphenyl)-2-phenyl-1,3-dithiane

Base Information

• Chemical Name: 2-(4-Methylphenyl)-2-phenyl-1,3-dithiane
• CAS No.: 89568-79-6
• Molecular Formula: C17H18S2
• Molecular Weight: 286.462
• DSSTox Substance ID: DTXSID80527866
• Nikkaji Number: J3.637.845J
• Wikidata: Q82397086
• Mol file: 89568-79-6.mol

Synonyms:2-(4-Methylphenyl)-2-phenyl-1,3-dithiane;89568-79-6;DTXSID80527866

Chemical Property of 2-(4-Methylphenyl)-2-phenyl-1,3-dithiane

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.08499292
• Heavy Atom Count: 19
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2(SCCCS2)C3=CC=CC=C3

Technology Process of 2-(4-Methylphenyl)-2-phenyl-1,3-dithiane

There total 2 articles about 2-(4-Methylphenyl)-2-phenyl-1,3-dithiane 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%

1.3-propanedithiol (109-80-8) + 4-Methylbenzophenone (134-84-9) → 2-(4-methylphenyl)-2-phenyl-1,3-dithiane (89568-79-6)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201800437

Reference yield: 88.0%

2-Phenyl-[1,3]dithiane (5425-44-5) + para-bromotoluene (106-38-7) → 2-(4-methylphenyl)-2-phenyl-1,3-dithiane (89568-79-6)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); sodium hexamethyldisilazane; nixantphos; In tetrahydrofuran; at 24 ℃; for 2h; Sealed tube;

DOI:10.1002/adsc.201400695

Reference yield: 100.0%

2-(4-methylphenyl)-2-phenyl-1,3-dithiane (89568-79-6) → 4-Methylbenzophenone (134-84-9)

Guidance literature:

With antimonypentachloride; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1016/0040-4039(91)80123-N

upstream raw materials:

1.3-propanedithiol

4-Methylbenzophenone

2-Phenyl-[1,3]dithiane

para-bromotoluene

Downstream raw materials:

1-[(3-Butylsulfanyl-propylsulfanyl)-phenyl-methyl]-4-methyl-benzene

1.3-propanedithiol

4-Methylbenzophenone

1-[1-(3-Butylsulfanyl-propylsulfanyl)-1-phenyl-propyl]-4-methyl-benzene

Refernces

• 1、 Nozawa-Kumada, Kanako,Ito, Shungo,Noguchi, Koto,Shigeno, Masanori,Kondo, Yoshinori. "Super electron donor-mediated reductive desulfurization reactions". supporting information. p. 12968 - 12971. Retrieved 2019/11/05.
• 2、 Yucel, Baris,Walsh, Patrick J.. "Reversed-polarity synthesis of diaryl ketones through palladium-catalyzed direct arylation of 2-Aryl-1,3-dithianes". . p. 3659 - 3667. Retrieved 2015/01/09.