2H-1-Benzothiopyran, octahydro-2,4-diphenyl-

Base Information

• Chemical Name: 2H-1-Benzothiopyran, octahydro-2,4-diphenyl-
• CAS No.: 35479-41-5
• Molecular Formula: C21H24S
• Molecular Weight: 308.488
• DSSTox Substance ID: DTXSID70481908
• Mol file: 35479-41-5.mol

Synonyms:35479-41-5;2H-1-Benzothiopyran, octahydro-2,4-diphenyl-;DTXSID70481908;3,5-diphenyl-2-thiabicyclo[4.4.0]decane

Chemical Property of 2H-1-Benzothiopyran, octahydro-2,4-diphenyl-

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 308.15987194
• Heavy Atom Count: 22
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)C(CC(S2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 2H-1-Benzothiopyran, octahydro-2,4-diphenyl-

There total 20 articles about 2H-1-Benzothiopyran, octahydro-2,4-diphenyl- 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: 85.0%

2,4-Diphenyl-4H-cyclohexathiopyran (7584-37-4) → 2,4-Diphenyl-cis-1-thiadecalin (35479-41-5,80227-45-8,94668-51-6)

Guidance literature:

With triethylsilane; trifluoroacetic acid; for 8h; Heating;

DOI:10.1007/BF00506959

Reference yield: 83.0%

2,4-diphenyl-6H-cyclohexathiopyran (55176-27-7) → 2,4-Diphenyl-cis-1-thiadecalin (35479-41-5,80227-45-8,94668-51-6)

Guidance literature:

With triethylsilane; trifluoroacetic acid; for 8h; Heating;

DOI:10.1007/BF00506959

Reference yield: 80.0%

cis-3,5-diphenyl-2-thiabicyclo<4.4.0>-Δ1,6-decene (76286-65-2) → 2α,4α-Diphenyl-cis-1-thiadecalin (35479-41-5,80227-45-8,94668-51-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 100 ℃; for 3.5h; under 38000 Torr;

DOI:10.1007/BF00476376

upstream raw materials:

2,4-diphenyl-6H-cyclohexathiopyran

2,4-Diphenyl-4H-cyclohexathiopyran

2,4-Diphenyl-5,6,7,9-tetrahydro-4H-thiochromene

trifluoroacetic acid

Downstream raw materials:

3,5-Diphenyl-2-thiabicyclo<4.4.0>decane S-Oxide

S-Carboxymethyl-3,5-diphenyl-2-thioniabicyclo<4.4.0>decane bromide

S-(2-Methoxycarbonylethyl)-3,5-diphenyl-2-thioniabicyclo<4.4.0>decane chloride hydrate

S-(2-Carboxyethyl)-3,5-diphenyl-2-thioniabicyclo<4.4.0>decane chloride hydrate