2,3-Dihydro-5,6-dimethyl-1,4-dithiin

Base Information

• Chemical Name: 2,3-Dihydro-5,6-dimethyl-1,4-dithiin
• CAS No.: 22796-26-5
• Molecular Formula: C6H10 S2
• Molecular Weight: 146.277
• Hs Code.: 2934999090
• European Community (EC) Number: 245-225-7
• UNII: 783KQO0LRS
• DSSTox Substance ID: DTXSID80177345
• Nikkaji Number: J286.310C
• Wikidata: Q83047678
• Mol file: 22796-26-5.mol

Synonyms:2,3-Dihydro-5,6-dimethyl-1,4-dithiin;22796-26-5;1,4-Dithiin, 2,3-dihydro-5,6-dimethyl-;EINECS 245-225-7;783KQO0LRS;5,6-dimethyl-2,3-dihydro-1,4-dithiine;2,3-dimethyl-5,6-dihydro-1,4-dithiin;UNII-783KQO0LRS;SCHEMBL3249657;DTXSID80177345;2,3-dimethyl-5,6-dihydro-[1,4]dithiine

Chemical Property of 2,3-Dihydro-5,6-dimethyl-1,4-dithiin

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Boiling Point: 228.3°Cat760mmHg
• Flash Point: 94.5°C
• PSA: 50.60000
• Density: 1.086g/cm³
• LogP: 2.71780
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.02239267
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SCCS1)C

Technology Process of 2,3-Dihydro-5,6-dimethyl-1,4-dithiin

There total 9 articles about 2,3-Dihydro-5,6-dimethyl-1,4-dithiin 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: 96.0%

1-(2-Methyl-[1,3]dithiolan-2-yl)-ethanol (74637-13-1) → 2,3-dimethyl-5,6-dihydro-1,4-dithiin (22796-26-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 0.166667h; Heating;

DOI:10.1055/s-1991-26520

Reference yield: 94.7%

3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) + ethane-1,2-dithiol (540-63-6) → 2,3-dimethyl-5,6-dihydro-1,4-dithiin (22796-26-5)

Guidance literature:

With toluene-4-sulfonic acid; In water; toluene;

Reference yield: 78.0%

2-ethyl-2-methyl-1,3-dithiolane (6008-81-7) → 2,3-dimethyl-5,6-dihydro-1,4-dithiin (22796-26-5) + 5-ethyl-2,3-dihydro-[1,4]dithiine (23230-02-6)

Guidance literature:

With bromine; In tetrachloromethane; for 0.333333h; Ambient temperature;

DOI:10.1055/s-1991-26427

upstream raw materials:

2-ethyl-2-methyl-1,3-dithiolane

3-hydroxy-2-butanon

ethane-1,2-dithiol

3-chloro-2-butanone

Downstream raw materials:

2-acetyl-2-methyl-1,3-dithiolane

dimethipin