2-Methyl-2-phenyl-1,3-dithiolane

Base Information

• Chemical Name: 2-Methyl-2-phenyl-1,3-dithiolane
• CAS No.: 5769-02-8
• Molecular Formula: C10H12S2
• Molecular Weight: 196.337
• NSC Number: 218181
• UNII: Y99X08O50E
• DSSTox Substance ID: DTXSID80206386
• Nikkaji Number: J42.239H
• Wikidata: Q27294404
• Mol file: 5769-02-8.mol

Synonyms:2-Methyl-2-phenyl-1,3-dithiolane;5769-02-8;1,3-DITHIOLANE, 2-METHYL-2-PHENYL-;NSC 218181;Y99X08O50E;2-Phenyl-2-methyl-1,3-dithiolane;NSC-218181;Acetophenone, cyclic ethylene mercaptole;NSC218181;UNII-Y99X08O50E;SCHEMBL11640241;NCOLUSQXCWLHEK-UHFFFAOYSA-;DTXSID80206386;2-methyl-2-phenyl-[1,3]dithiolane;LS-63290;Q27294404

Chemical Property of 2-Methyl-2-phenyl-1,3-dithiolane

Chemical Property:

• Vapor Pressure: 0.0015mmHg at 25°C
• Boiling Point: 305.2°Cat760mmHg
• Flash Point: 141.6°C
• PSA: 50.60000
• Density: 1.152g/cm³
• LogP: 3.33930
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.03804273
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(SCCS1)C2=CC=CC=C2

Technology Process of 2-Methyl-2-phenyl-1,3-dithiolane

There total 14 articles about 2-Methyl-2-phenyl-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%

ethane-1,2-dithiol (540-63-6) + acetophenone (98-86-2) → 2-methyl-2-phenyl[1,3]dithiolane (5769-02-8)

Guidance literature:

With perchloric acid; silica gel; at 25 - 30 ℃; for 5h;

DOI:10.1055/s-2006-942474

Reference yield: 92.0%

2-methyl-2-phenyl-1,3-dioxolane (3674-77-9) + ethane-1,2-dithiol (540-63-6) → 2-methyl-2-phenyl[1,3]dithiolane (5769-02-8)

Guidance literature:

With magnesium bromide; In diethyl ether; for 0.5h; Ambient temperature;

DOI:10.1246/cl.1989.629

Reference yield: 91.0%

2-methyl-2-phenyl-[1,3]dioxane (878-57-9) + ethane-1,2-dithiol (540-63-6) → 2-methyl-2-phenyl[1,3]dithiolane (5769-02-8)

Guidance literature:

With tetra-N-butylammonium tribromide; In tetrahydrofuran; at 20 ℃; for 0.08h;

DOI:10.1039/b402648a

upstream raw materials:

ethane-1,2-dithiol

acetophenone

2-methyl-2-phenyl-1,3-dioxolane

2-ethoxy-[1,3]dithiolane

Downstream raw materials:

2-chloro-3-phenyl-5,6-dihydro-1,4-dithiin

ethylbenzene

2,3-diphenyl-2-butene

(E)-2,3-diphenylbutene

Refernces

• 1、 Sedrpoushan, Alireza,Ghazizadeh, Habibollah. "Mesoporous sBa-15 silica catalyst functionalized with phenylsulfonic acid groups (SbA-15-ph-So3h) as efficient nanocatalyst for chemoselective thioacetalization of carbonyl compounds". . p. 112 - 118. Retrieved 2017/01/18.
• 2、 Lamb, Brian M.,Barbas, Carlos F.. "Selective arylthiolane deprotection by singlet oxygen: A promising tool for sensors and prodrugs". supporting information. p. 3196 - 3199. Retrieved 2015/05/27.