4-Methyl-1,3-dithiane

Base Information

• Chemical Name: 4-Methyl-1,3-dithiane
• CAS No.: 52884-63-6
• Molecular Formula: C5H10S2
• Molecular Weight: 134.2629
• NSC Number: 193346
• UNII: 574C3N5HZ3
• DSSTox Substance ID: DTXSID30307599
• Nikkaji Number: J1.317.342G
• Mol file: 52884-63-6.mol

Synonyms:4-Methyl-1,3-dithiane;1,3-Dithiane, 4-methyl-;52884-63-6;NSC-193346;NSC193346;4-me-thyl-1,3-dithiane;SCHEMBL762970;DTXSID30307599;HAXRZEWLQORZFV-UHFFFAOYSA-N;574C3N5HZ3

Chemical Property of 4-Methyl-1,3-dithiane

Chemical Property:

• Vapor Pressure: 0.428mmHg at 25°C
• Boiling Point: 201.8°Cat760mmHg
• Flash Point: 77.8°C
• Density: 1.07g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.02239267
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCSCS1

Technology Process of 4-Methyl-1,3-dithiane

There total 4 articles about 4-Methyl-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: 76.0%

Dimethoxymethane (109-87-5) + 1,3-Bis-triisopropylsilanylsulfanyl-butane (156275-92-2) → 4-methyl-1,3-dithiane (52884-63-6)

Guidance literature:

With BF₃*EE; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1016/S0040-4039(00)76869-9

Reference yield: 70.0%

diiodomethane (75-11-6) + 1,3-Butanedithiol (24330-52-7) → 4-methyl-1,3-dithiane (52884-63-6)

Guidance literature:

With sodium carbonate; PtCl₂(dppm); In acetone; for 24h; Heating;

DOI:10.1016/S0040-4020(01)90183-8

Reference yield: 36.0%

carbon disulfide (75-15-0,12122-00-8) + 1,3-dibromobutane (107-80-2,79390-67-3) → 4-methyl-1,3-dithiane (52884-63-6)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; Heating;

DOI:10.1021/ol005705k

upstream raw materials:

diiodomethane

1,3-Butanedithiol

Dimethoxymethane

1,3-Bis-triisopropylsilanylsulfanyl-butane

Refernces

• 1、 Wan, Yongqin,Kurchan, Alexei N.,Barnhurst, Loren A.,Kutateladze, Andrei G.. "Direct transformation of 1,3-dihalides into dithianes and dithiepines via a novel one-pot reaction with carbon disulfide and sodium borohydride". . p. 1133 - 1135. Retrieved 2007/10/03.
• 2、 Page, Philip C. Bulman,Klair, Sukhbinder S.,Brown, Michael P.,Smith, Christopher S.,Maginn, Stephen J.,Mulley, Suzanne. "Catalytic Thioether and Thioacetal Formation using Bis(diphenylphosphino)methane Complexes of Platinum (II)". . p. 5933 - 5940. Retrieved 2007/10/02.