(4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide

Base Information

• Chemical Name: (4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide
• CAS No.: 7693-38-1
• Molecular Formula: C13H10ClNO4S
• Molecular Weight: 311.7408
• NSC Number: 194628
• Mol file: 7693-38-1.mol

Synonyms:NSC194628;7693-38-1;NSC 194628;(4-(Chloro(phenylsulfonyl)methyl)phenyl)(hydroxy)azane oxide;NSC-194628;1-[benzenesulfonyl(chloro)methyl]-4-nitro-benzene;Benzene, 1-[chloro(phenylsulfonyl)methyl]-4-nitro-;Benzene, {1-[chloro(phenylsulfonyl)methyl]-4-nitro-}

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

Chemical Property:

• Vapor Pressure: 2.04E-10mmHg at 25°C
• Boiling Point: 520.5°Cat760mmHg
• Flash Point: 268.6°C
• Density: 1.443g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 311.0019067
• Heavy Atom Count: 20
• Complexity: 428

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 7 articles about (4-(Chloro(phenylsulfonyl)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: 35.0%

dichloromethyl phenyl sulfone (31540-74-6) + nitrobenzene (98-95-3,26969-40-4) → α-Chloro-4-nitrobenzyl phenyl sulfone (7693-38-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00183a003

Reference yield: 18.0%

chloromethyl phenyl sulfone (7205-98-3) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → α-Chloro-4-nitrobenzyl phenyl sulfone (7693-38-1) + 2-Benzenesulfonylmethyl-4-fluoro-1-nitro-benzene (89303-18-4)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 21 ℃; for 0.166667h;

DOI:10.1021/jo00169a067

Reference yield: 13.0%

para-dinitrobenzene (100-25-4) + chloromethyl phenyl sulfone (7205-98-3) → α-Chloro-4-nitrobenzyl phenyl sulfone (7693-38-1) + 2-Benzenesulfonylmethyl-1,4-dinitro-benzene (89303-19-5)

Guidance literature:

With potassium hydroxide; ammonia; In tetrahydrofuran; at -30 ℃; for 1h;

DOI:10.1021/jo00183a003

upstream raw materials:

para-dinitrobenzene

chloromethyl phenyl sulfone

nitrobenzene-4-d

dichloromethyl phenyl sulfone

Downstream raw materials:

p-nitrobenzyl phenyl sulfone