Diethyl [(benzylsulfanyl)(phenyl)methyl]phosphonate

Base Information

• Chemical Name: Diethyl [(benzylsulfanyl)(phenyl)methyl]phosphonate
• CAS No.: 70660-17-2
• Molecular Formula: C18H23O3PS
• Molecular Weight: 350.419
• DSSTox Substance ID: DTXSID10501674
• Mol file: 70660-17-2.mol

Synonyms:70660-17-2;Diethyl [(benzylsulfanyl)(phenyl)methyl]phosphonate;DTXSID10501674;diethyl alpha-(benzylsulfanyl)benzylphosphonate

Chemical Property of Diethyl [(benzylsulfanyl)(phenyl)methyl]phosphonate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 350.11055276
• Heavy Atom Count: 23
• Complexity: 355

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C1=CC=CC=C1)SCC2=CC=CC=C2)OCC

Technology Process of Diethyl [(benzylsulfanyl)(phenyl)methyl]phosphonate

There total 1 articles about Diethyl [(benzylsulfanyl)(phenyl)methyl]phosphonate 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:

α-Chlorodibenzyl sulfide (51317-73-8) + triethyl phosphite (122-52-1) → Diethyl α-(benzylthio)benzylphosphonate (70660-17-2)

Guidance literature:

Yield given; 1) cooling bath 2) steam bath, 1h;

DOI:10.1021/jo00200a024

Reference yield: 81.0%

3-formyl-4H-1-benzothiopyran-4-one (70940-99-7) + Diethyl α-(benzylthio)benzylphosphonate (70660-17-2) → 3-<2(Z)-(benzylthio)-2-phenylethenyl>-4H-thiochroman-4-one (93454-57-0)

Guidance literature:

With n-butyllithium; 1) THF, -78 deg C; 2) THF, -55 to -65 deg C, then room temperature;

DOI:10.1021/jo00200a025

Reference yield:

Diethyl α-(benzylthio)benzylphosphonate (70660-17-2) → Diethyl α-(benzylsulfinyl)benzylphosphonate (93383-33-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1h; Yield given;

DOI:10.1021/jo00200a024

upstream raw materials:

α-Chlorodibenzyl sulfide

triethyl phosphite

Downstream raw materials:

3-<2(Z)-(benzylthio)-2-phenylethenyl>-4H-thiochroman-4-one

3-<2(Z)-(Benzylthio)-2-phenylethenyl>-2,6-diphenyl-4H-thiopyran-4-one

Diethyl α-(benzylsulfinyl)benzylphosphonate

7,9-Diphenylbenzo-1,8-dithiaspiro<4,5>deca-6,9-dien-4-one