1,3-DITHIOLANE, 2-(p-CHLOROPHENYL)-2-METHYL-

Base Information

• Chemical Name: 1,3-DITHIOLANE, 2-(p-CHLOROPHENYL)-2-METHYL-
• CAS No.: 6302-91-6
• Molecular Formula: C10H11ClS2
• Molecular Weight: 230.782
• NSC Number: 41548
• UNII: G8YQK54LZP
• DSSTox Substance ID: DTXSID80212280
• Nikkaji Number: J91.146A
• Wikidata: Q83087341

Synonyms:2-(4-chlorophenyl)-2-methyl-1,3-dithiolane;6302-91-6;AI3-22823;1,3-DITHIOLANE, 2-(p-CHLOROPHENYL)-2-METHYL-;2-(p-Chlorophenyl)-2-methyl-1,3-dithiolane;NSC 41548;G8YQK54LZP;BRN 0146926;1,3-Dithiolane, 2-(4-chlorophenyl)-2-methyl-;NSC-41548;NSC41548;UNII-G8YQK54LZP;C10H11ClS2;SCHEMBL2084071;DTXSID80212280;LS-63244;2-(4-chlorophenyl)-2-methyl-[1,3]dithiolane

Chemical Property of 1,3-DITHIOLANE, 2-(p-CHLOROPHENYL)-2-METHYL-

Chemical Property:

• Vapor Pressure: 0.000287mmHg at 25°C
• Boiling Point: 332.1°Cat760mmHg
• Flash Point: 146.6°C
• PSA: 50.60000
• Density: 1.266g/cm³
• LogP: 3.99270
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 229.9990704
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-DITHIOLANE, 2-(p-CHLOROPHENYL)-2-METHYL-

There total 1 articles about 1,3-DITHIOLANE, 2-(p-CHLOROPHENYL)-2-METHYL- 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: 99.91%

para-chloroacetophenone (99-91-2) + ethane-1,2-dithiol (540-63-6) → 2-(4-chlorophenyl)-2-methyl-1,3-dithiolane (6302-91-6)

Guidance literature:

With amberlyst-15; In acetonitrile; for 1h;

DOI:10.1016/j.tetlet.2007.08.027

Reference yield: 98.0%

2-(4-chlorophenyl)-2-methyl-1,3-dithiolane (6302-91-6) + tetra-n-butylammonium cyanide (10442-39-4) → 3-(4-chloro-phenyl)-5,6-dihydro-[1,4]dithiine-2-carbonitrile

Guidance literature:

tetra-n-butylammonium cyanide; With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 0.25h;

2-(4-chlorophenyl)-2-methyl-1,3-dithiolane; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1002/ejoc.200400502

Reference yield: 92.0%

2-(4-chlorophenyl)-2-methyl-1,3-dithiolane (6302-91-6) → 5-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine (6317-12-0)

Guidance literature:

With tert-butylhypochlorite; In tetrachloromethane; at 20 ℃; for 0.166667h;

DOI:10.1055/s-2005-921906

upstream raw materials:

para-chloroacetophenone

ethane-1,2-dithiol

Downstream raw materials:

para-chloroacetophenone

5-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine

4-chloro(ethylbenzene)

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