2,4-Diphenylthietane

Base Information

• Chemical Name: 2,4-Diphenylthietane
• CAS No.: 24609-88-9
• Molecular Formula: C₁₅H₁₄S
• Molecular Weight: 226.342
• NSC Number: 161121
• DSSTox Substance ID: DTXSID20303782
• Nikkaji Number: J2.067.435K
• Mol file: 24609-88-9.mol

Synonyms:2,4-diphenylthietane;24609-88-9;NSC161121;DTXSID20303782;NSC-161121

Chemical Property of 2,4-Diphenylthietane

Chemical Property:

• Vapor Pressure: 2.19E-05mmHg at 25°C
• Boiling Point: 371.5°Cat760mmHg
• Flash Point: 175.1°C
• Density: 1.138g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.08162162
• Heavy Atom Count: 16
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SC1C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2,4-Diphenylthietane

There total 3 articles about 2,4-Diphenylthietane 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:

Os3(CO)11{SC(H)C6H5CH2C(H)C6H5} → dodecacarbonyl triosmium (15696-40-9) + trans-2,4-diphenylthietane (24609-87-8,24609-88-9,92550-71-5)

Guidance literature:

In not given; slow decompn. in soln. over a period of hours at 25°C;

DOI:10.1021/om00037a024

Reference yield:

benzalacetophenone (94-41-7) → trans-2,4-diphenylthietane (24609-87-8,24609-88-9,92550-71-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / benzene / 3 h / 50 - 60 °C

2: 1.) sodium borohydride, 2.) sodium hydride / t-butanol 1.) room temp., 3 h, 2.) 60 deg C, 1 h, 3.) room temp., 4 h, 4.) 60 deg C, 1 h

With sodium tetrahydroborate; sodium hydride; In benzene;

DOI:10.1055/s-1981-29521

Reference yield:

O,O-diethyl S-(3-oxo-1,3-diphenylpropyl)phosphorodithioate (79359-70-9) → cis-2,4-diphenylthietane (24609-87-8) + trans-2,4-diphenylthietane (24609-87-8,24609-88-9,92550-71-5)

Guidance literature:

With sodium tetrahydroborate; sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; t-butanol 1.) room temp., 3 h, 2.) 60 deg C, 1 h, 3.) room temp., 4 h, 4.) 60 deg C, 1 h;

DOI:10.1055/s-1981-29521

upstream raw materials:

O,O-diethyl S-(3-oxo-1,3-diphenylpropyl)phosphorodithioate

benzalacetophenone