(4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide

Base Information

• Chemical Name: (4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide
• CAS No.: 73318-12-4
• Molecular Formula: C14H13NO3S
• Molecular Weight: 275.3229
• NSC Number: 122662
• DSSTox Substance ID: DTXSID90298353
• ChEMBL ID: CHEMBL1554914
• Mol file: 73318-12-4.mol

Synonyms:NSC122662;73318-12-4;MLS002707257;NSC-122662;NCIStruc1_001926;NCIStruc2_000893;(4-((benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide;CHEMBL1554914;DTXSID90298353;NCGC00014259;NCI122662;NCGC00014259-02;NCGC00097368-01;NCI60_000534;SMR001574651

Chemical Property of (4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide

Chemical Property:

• Vapor Pressure: 5.7E-11mmHg at 25°C
• Boiling Point: 534.7°Cat760mmHg
• Flash Point: 277.2°C
• Density: 1.347g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 275.06161445
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide

There total 2 articles about (4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide 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:

benzyl-(4-nitro-benzyl)-sulfide (3019-30-5) → 4-nitrobenzyl benzyl sulfone + benzyl-(4-nitro-benzyl)-sulfoxide (73318-12-4)

Guidance literature:

With sodium periodate; In water; acetonitrile; for 2h; Overall yield = 93 percentChromat.;

DOI:10.1016/j.molstruc.2020.128980

Reference yield:

benzyl-(4-nitro-benzyl)-sulfide (3019-30-5) → benzyl-(4-nitro-benzyl)-sulfoxide (73318-12-4)

Guidance literature:

With peracetic acid;

Reference yield: 82.0%

benzyl-(4-nitro-benzyl)-sulfoxide (73318-12-4) → benzyl-(4-nitro-benzyl)-sulfide (3019-30-5)

Guidance literature:

With phosphorus pentachloride; N,N-diethylaniline; In dichloromethane;

DOI:10.1055/s-1980-28960

upstream raw materials:

benzyl-(4-nitro-benzyl)-sulfide

Downstream raw materials:

benzyl-(4-nitro-benzyl)-sulfide

4-nitrophenyl[bis(benzylthio)]methane

C₂₁H₁₈N₂O₄S₂