2,3-Dihydro-5,6-diphenyl-1,4-oxathiin

Base Information

• Chemical Name: 2,3-Dihydro-5,6-diphenyl-1,4-oxathiin
• CAS No.: 58041-19-3
• Molecular Formula: C16H14 O S
• Molecular Weight: 254.353
• DSSTox Substance ID: DTXSID80206765
• Nikkaji Number: J22.302F
• Wikidata: Q83080626
• Mol file: 58041-19-3.mol

Synonyms:2,3-Dihydro-5,6-diphenyl-1,4-oxathiin;58041-19-3;5,6-diphenyl-2,3-dihydro-1,4-oxathiine;UBI-P293;1,4-OXATHIIN, 2,3-DIHYDRO-5,6-DIPHENYL-;BRN 0207580;4-19-00-00390 (Beilstein Handbook Reference);SCHEMBL1981305;DTXSID80206765;AKOS024374928;LS-99693;2,3 -dihydro-5,6-diphenyl-1,4-oxathiin;FT-0704359;P-293

Chemical Property of 2,3-Dihydro-5,6-diphenyl-1,4-oxathiin

Chemical Property:

• Vapor Pressure: 1.88E-06mmHg at 25°C
• Boiling Point: 406.7°C at 760 mmHg
• Flash Point: 199.7°C
• PSA: 34.53000
• Density: 1.185g/cm³
• LogP: 4.27580
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.07653624
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Dihydro-5,6-diphenyl-1,4-oxathiin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2,3-Dihydro-5,6-diphenyl-1,4-oxathiin

There total 9 articles about 2,3-Dihydro-5,6-diphenyl-1,4-oxathiin 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-(Bromo-phenyl-methyl)-2-phenyl-[1,3]oxathiolane (101249-26-7) → 5,6-diphenyl-2,3-dihydro-1,4-oxathiin (58041-19-3)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 0.5h;

DOI:10.1021/jo00360a045

Reference yield: 39.0%

2-benzyl-2-phenyl-[1,3]oxathiolane (130987-41-6) → 5,6-diphenyl-2,3-dihydro-1,4-oxathiin (58041-19-3)

Guidance literature:

With tellurium tetrachloride; In dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1246/cl.1990.1323

Reference yield:

phenyl benzyl ketone (451-40-1) + 2-hydroxyethanethiol (60-24-2) → 5,6-diphenyl-2,3-dihydro-1,4-oxathiin (58041-19-3)

Guidance literature:

With hydrogenchloride; sulfuryl dichloride; toluene-4-sulfonic acid; In benzene;

upstream raw materials:

α-(2-hydroxy-ethylsulfanyl)-deoxybenzoin

2-hydroxy-2-phenylacetophenone

2-hydroxyethanethiol

2-benzyl-2-phenyl-[1,3]oxathiolane

Downstream raw materials:

2-(benzoylthio)ethyl benzoate

1,6-Diphenyl-2,7,8-trioxa-5-thia-bicyclo[4.2.0]octane

Refernces

• 1、 Mattay, Jochen,Dittmer, Christel. "Synthesis of 1,4-Oxathiins and 5,6-Dihydro-1,4-oxathiins". . p. 1894 - 1897. Retrieved 2007/10/02.
• 2、 -. "Substituted 2,3-dihydro-,4-oxathiin plant growth stunting agents". . . Retrieved 2008/06/13.