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

Base Information

• Chemical Name: 2-(2-Methylphenyl)-1,3-dithiane
• CAS No.: 56637-46-8
• Molecular Formula: C11H14S2
• Molecular Weight: 210.364
• NSC Number: 174719
• DSSTox Substance ID: DTXSID00306236
• Nikkaji Number: J3.637.843C
• Wikidata: Q82053228
• Mol file: 56637-46-8.mol

Synonyms:2-(2-methylphenyl)-1,3-dithiane;56637-46-8;2-(o-Tolyl)-m-dithiane;m-Dithiane, 2-(o-tolyl)-;NIOSH/JO5292000;JO52920000;NSC174719;DTXSID00306236;AKOS024321218;NSC-174719;AL-182/11625001

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

Chemical Property:

• Vapor Pressure: 0.000122mmHg at 25°C
• Boiling Point: 345.6°Cat760mmHg
• Flash Point: 168.5°C
• PSA: 50.60000
• Density: 1.131g/cm³
• LogP: 3.86370
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

2-(2-METHYLPHENYL)-1,3-DITHIANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2SCCCS2

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

There total 6 articles about 2-(2-Methylphenyl)-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%

→ 2-(2-Methylphenyl)-1,3-dithian (56637-46-8)

Guidance literature:

at 50 ℃;

Reference yield: 94.0%

1.3-propanedithiol (109-80-8) + 2-methylphenyl aldehyde (529-20-4) → 2-(2-Methylphenyl)-1,3-dithian (56637-46-8)

Guidance literature:

With trichloroisocyanuric acid; In chloroform; at 20 ℃; for 0.75h;

DOI:10.1055/s-2001-17451

Reference yield: 91.0%

1.3-propanedithiol (109-80-8) + 3,9-di-o-tolyl-2,4,8,10-tetraoxa-spiro[5.5]undecane → 2-(2-Methylphenyl)-1,3-dithian (56637-46-8)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at 20 ℃; for 0.25h;

DOI:10.1080/10426500211712

upstream raw materials:

1.3-propanedithiol

2-methylphenyl aldehyde

2-(2-methylphenyl)-1,3-dioxolane

salicylaldoxime

Downstream raw materials:

1,1,1,7,7,7-Hexaphenyl-2,6-dithiaheptan

2-methylphenyl aldehyde

3-(2-(o-tolyl)-1,3-dithian-2-yl)cyclohexanone

2-(o-tolyl)-2-trimethylsilyl-1,3-dithiane

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