2-(p-Tolyl)-1,3-dithiolane

Base Information

• Chemical Name: 2-(p-Tolyl)-1,3-dithiolane
• CAS No.: 23229-29-0
• Molecular Formula: C10H12 S2
• Molecular Weight: 196.337
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40177801
• Nikkaji Number: J76.261J
• Wikidata: Q83048151
• Mol file: 23229-29-0.mol

Synonyms:2-(p-Tolyl)-1,3-dithiolane;23229-29-0;BRN 0130878;1,3-DITHIOLANE, 2-(p-TOLYL)-;1,3-Dithiolane, 2-p-tolyl-;1,3-Dithiolane, 2-(4-methylphenyl)-;2-(4-Methylphenyl)-1,3-dithiolane;2-(4'-Methylphenyl)-1,3-dithiolane;2-p-Tolyl-1,3-dithiolane;SCHEMBL5132106;DTXSID40177801;MFCD01729646;2-(4-Methylphenyl)-1,3-dithiolane #;LS-63310

Chemical Property of 2-(p-Tolyl)-1,3-dithiolane

Chemical Property:

• Vapor Pressure: 0.000437mmHg at 25°C
• Boiling Point: 325.4°Cat760mmHg
• Flash Point: 157.2°C
• PSA: 50.60000
• Density: 1.167g/cm³
• LogP: 3.47360
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.03804273
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-P-TOLYL-[1,3]DITHIOLANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2SCCS2

Technology Process of 2-(p-Tolyl)-1,3-dithiolane

There total 15 articles about 2-(p-Tolyl)-1,3-dithiolane 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: 100.0%

4-methyl-benzaldehyde (104-87-0) + ethane-1,2-dithiol (540-63-6) → 2-(4-methylphenyl)-1,3-dithiolane (23229-29-0)

Guidance literature:

With silica gel; toluene-4-sulfonic acid; In dichloromethane; for 1.5h; Heating;

DOI:10.1055/s-2005-865303

Reference yield: 95.0%

2-(4-methylphenyl)-1,3-dioxolane (2403-51-2) + ethane-1,2-dithiol (540-63-6) → 2-(4-methylphenyl)-1,3-dithiolane (23229-29-0)

Guidance literature:

tungsten(VI) chloride; In dichloromethane; at 0 - 5 ℃; for 0.25h;

DOI:10.1055/s-1998-1756

Reference yield: 95.0%

3,9-di-p-tolyl-2,4,8,10-tetraoxa-spiro[5.5]undecane (53731-74-1) + ethane-1,2-dithiol (540-63-6) → 2-(4-methylphenyl)-1,3-dithiolane (23229-29-0)

Guidance literature:

With trichloroisocyanuric acid; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1080/10426500214566

upstream raw materials:

4-methyl-benzaldehyde

ethane-1,2-dithiol

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

2-(4-tolyl)-1,3-oxathiolane

Downstream raw materials:

4-methyl-benzaldehyde

4-Methyldithiobenzoesaeurephenylester

phenylthioethylene

1-methyl-4-(1'-ethyl)propylbenzene