1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin

Base Information

• Chemical Name: 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
• CAS No.: 36568-23-7
• Molecular Formula: C11H14 S2
• Molecular Weight: 210.364
• Hs Code.: 2934999090
• European Community (EC) Number: 253-109-2
• DSSTox Substance ID: DTXSID50190066
• Nikkaji Number: J267.282K
• Wikidata: Q83062325
• Mol file: 36568-23-7.mol

Synonyms:36568-23-7;1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin;EINECS 253-109-2;7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine;1,5-Dihydro-7,8-dimethyl-2,4-benzodithiepin;DTXSID50190066;AKOS024307490

Chemical Property of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin

Chemical Property:

• Vapor Pressure: 7.41E-05mmHg at 25°C
• Boiling Point: 353.2°C at 760 mmHg
• Flash Point: 174.3°C
• PSA: 50.60000
• Density: 1.133g/cm³
• LogP: 3.74090
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

1,5-DIHYDRO-7,8-DIMETHYL-2,4-BENZODITHIEPIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(CSCSC2)C=C1C

Technology Process of 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin

There total 1 articles about 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin 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:

→ 1,5-Dihydro-7,8-dimethyl-2,4-benzodithiepine (36568-23-7)

Guidance literature:

/BRN= 307966/, Formaldehyd, BF3-Etherat;

Reference yield: 83.0%

1,5-Dihydro-7,8-dimethyl-2,4-benzodithiepine (36568-23-7) + (2S,4R)-4-Bromo-2-phenyl-[1,3]dioxane → (+)-3-<(S)-2',4'-<(S)-benzylidenedioxy>butyl>-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin (94340-01-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

DOI:10.1016/S0040-4039(01)91192-X

Reference yield: 70.0%

1,5-Dihydro-7,8-dimethyl-2,4-benzodithiepine (36568-23-7) + 3-methoxy-4-phenylcyclobutenedione (711-78-4) → 4-(3,8-Dihydro-5,6-dimethyl-2,9-benzodithiepinyl)-4-hydroxy-3-methoxy-2-phenyl-2-cyclobuten-1-one

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; 1.) -78 deg C, 20 min, 2.) 20 min;

DOI:10.1021/jo00108a045

Downstream raw materials:

(+)-3-<(S)-2',4'-<(S)-benzylidenedioxy>butyl>-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin

3-<(S)-2',4'-<(S)-benzylidenedioxy>butyl>-3-<4-(1-ethoxyethoxy)butyl>-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin

(2S,4S)-4-{3-[4-(1-Ethoxy-ethoxy)-butyl]-7,8-dimethyl-1,5-dihydro-benzo[e][1,3]dithiepin-3-ylmethyl}-2-phenyl-[1,3]dioxane

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