Benzenesulfin-p-anisidide

Base Information

• Chemical Name: Benzenesulfin-p-anisidide
• CAS No.: 14934-04-4
• Molecular Formula: C13H13 N O2 S
• Molecular Weight: 247.318
• NSC Number: 95822
• Nikkaji Number: J1.415.653D
• Mol file: 14934-04-4.mol

Synonyms:Benzenesulfin-p-anisidide;14934-04-4;NSC95822;OIZJNZHTYORACU-UHFFFAOYSA-N;NSC-95822;AKOS002844411;N-(4-Methoxyphenyl)benzenesulfinamide #;N-(p-Methoxyphenyl)-benzenesulfinylamide

Chemical Property of Benzenesulfin-p-anisidide

Chemical Property:

• Vapor Pressure: 3.82E-07mmHg at 25°C
• Boiling Point: 416.4°Cat760mmHg
• Flash Point: 205.7°C
• Density: 1.29g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NS(=O)C2=CC=CC=C2

Technology Process of Benzenesulfin-p-anisidide

There total 6 articles about Benzenesulfin-p-anisidide 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: 88.0%

benzenesulfenic acid p-anisidide (63235-31-4) → N-(4-methoxyphenyl)benzenesulfinamide (14934-04-4)

Guidance literature:

With potassium fluoride; 3-chloro-benzenecarboperoxoic acid; In water; acetonitrile; at 0 ℃; for 0.116667h;

DOI:10.1080/00397911.2010.543748

Reference yield: 42.0%

methyl benzenesulfinate (670-98-4) + 4-methoxy-aniline (104-94-9) → N-(4-methoxyphenyl)benzenesulfinamide (14934-04-4)

Guidance literature:

for 10h; Sonication; Neat (no solvent);

DOI:10.1016/j.tet.2011.02.060

Reference yield: 8.0%

4-methoxy-aniline (104-94-9) + benzenesulfonyl chloride (98-09-9) → N-(4-methoxyphenyl)benzenesulfinamide (14934-04-4)

Guidance literature:

With triethylamine; triphenylphosphine; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo062296i

upstream raw materials:

benzenesulphinyl chloride

4-methoxy-aniline

benzenesulfonyl chloride

Benzenesulfinic acid

Downstream raw materials:

N-(4-Methoxyphenyl)benzenesulfonimidoyl fluoride

4-methoxy-aniline

Benzenesulfinic acid

(±)-((4-methoxyphenyl)imino)(methyl)(phenyl)-λ⁶-sulfanone