[Azido(benzenesulfinyl)methyl]benzene

Base Information

• Chemical Name: [Azido(benzenesulfinyl)methyl]benzene
• CAS No.: 70891-88-2
• Molecular Formula: C13H12N3OS+
• Molecular Weight: 257.316
• NSC Number: 194632
• DSSTox Substance ID: DTXSID50398040
• Mol file: 70891-88-2.mol

Synonyms:70891-88-2;[azido(benzenesulfinyl)methyl]benzene;DTXSID50398040;NSC194632;NSC-194632

Chemical Property of [Azido(benzenesulfinyl)methyl]benzene

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 257.06228316
• Heavy Atom Count: 18
• Complexity: 329

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)C(N=[N+]=[N-])S(=O)C2=CC=CC=C2

Technology Process of [Azido(benzenesulfinyl)methyl]benzene

There total 1 articles about [Azido(benzenesulfinyl)methyl]benzene 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-Azidobenzyl Phenyl Sulfide (70891-83-7) → α-azidobenzyl phenyl sulfoxide (70891-88-2)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 5 ℃; for 0.0833333h; Yield given;

DOI:10.1021/ja00403a043

Reference yield: 33.4%

α-azidobenzyl phenyl sulfoxide (70891-88-2) → S-Phenyl benzenethiosulfonate (1212-08-4) + (±)-N-benzylidenebezenesulfinamide (52778-10-6) + benzaldehyde (100-52-7) + benzonitrile (100-47-0) + diphenyldisulfane (882-33-7)

Guidance literature:

In chlorobenzene; at 55 ℃; for 1.5h; Mechanism; Rate constant; Thermodynamic data; activation parameters (ΔH(excit.), ΔS(excit.)); further temperatures;

DOI:10.1021/ja00403a043

Reference yield: 15.0%

α-azidobenzyl phenyl sulfoxide (70891-88-2) → S-Phenyl benzenethiosulfonate (1212-08-4) + (±)-N-benzylidenebezenesulfinamide (52778-10-6) + benzaldehyde (100-52-7) + benzonitrile (100-47-0)

Guidance literature:

In tetrachloromethane; for 1.5h; Further byproducts given; Heating;

DOI:10.1021/ja00403a043

upstream raw materials:

α-Azidobenzyl Phenyl Sulfide

Downstream raw materials:

S-Phenyl benzenethiosulfonate

(±)-N-benzylidenebezenesulfinamide

benzaldehyde

benzonitrile