4-(Chloromethyl)-2,2-dimethyl-1,3-dithiolane

Base Information

• Chemical Name: 4-(Chloromethyl)-2,2-dimethyl-1,3-dithiolane
• CAS No.: 6008-74-8
• Molecular Formula: C6H11ClS2
• Molecular Weight: 182.7345
• DSSTox Substance ID: DTXSID50975512
• Nikkaji Number: J91.142I

Synonyms:4-(Chloromethyl)-2,2-dimethyl-1,3-dithiolane;BRN 0104512;6008-74-8;1,3-DITHIOLANE, 4-(CHLOROMETHYL)-2,2-DIMETHYL-;C6H11ClS2;C6-H11-Cl-S2;SCHEMBL10724892;DTXSID50975512;SGFKSWJIHZQDSJ-UHFFFAOYSA-N;LS-63239;4-Chloromethyl-2,2-dimethyl-1,3-dithiolan

Chemical Property of 4-(Chloromethyl)-2,2-dimethyl-1,3-dithiolane

Chemical Property:

• Vapor Pressure: 0.0371mmHg at 25°C
• Boiling Point: 249°Cat760mmHg
• Flash Point: 103.7°C
• Density: 1.152g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.9990704
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(SCC(S1)CCl)C

Technology Process of 4-(Chloromethyl)-2,2-dimethyl-1,3-dithiolane

There total 6 articles about 4-(Chloromethyl)-2,2-dimethyl-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%

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol (5694-47-3) → 4-(chloromethyl)-2,2-dimethyl-1,3-dithiolane (6008-74-8)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.0c00129

Reference yield:

→ 4-(chloromethyl)-2,2-dimethyl-1,3-dithiolane (6008-74-8)

Guidance literature:

With thionyl chloride; benzene;

DOI:10.1039/jr9470000592

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → 4-(chloromethyl)-2,2-dimethyl-1,3-dithiolane (6008-74-8)

Guidance literature:

With pyridine;

DOI:10.1039/jr9500002938

upstream raw materials:

3-chloro-propane-1,2-dithiol

acetone

p-toluenesulfonyl chloride

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol

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