2-Aminophenyl 4-methylbenzene-1-sulfonate

Base Information

• Chemical Name: 2-Aminophenyl 4-methylbenzene-1-sulfonate
• CAS No.: 1216-96-2
• Molecular Formula: C13H13 N O3 S
• Molecular Weight: 263.317
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID30923879
• Nikkaji Number: J86.065D
• Wikidata: Q82897975
• Mol file: 1216-96-2.mol

Synonyms:1216-96-2;2-Aminophenyl 4-methylbenzene-1-sulfonate;o-Aminophenol p-toluene sulfate;Toluene-4-sulfonic acid 2-amino-phenyl ester;(2-aminophenyl) 4-methylbenzenesulfonate;Phenol, 2-amino-, 4-methylbenzenesulfonate;Phenol, 2-amino-, 1-(4-methylbenzenesulfonate);MFCD08277613;Toluene-4-sulfonic acid 2-aminophenyl ester;2-Aminophenyl 4-methylbenzenesulfonate;SCHEMBL9131043;DTXSID30923879;BAA21696;AKOS005256078

Chemical Property of 2-Aminophenyl 4-methylbenzene-1-sulfonate

Chemical Property:

• Vapor Pressure: 5.87E-08mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 440.5°Cat760mmHg
• Flash Point: 220.2°C
• PSA: 77.77000
• Density: 1.305g/cm³
• LogP: 4.00690
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.06161445
• Heavy Atom Count: 18
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

2-AMINOPHENYL 4-METHYLBENZENE-1-SULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N

Technology Process of 2-Aminophenyl 4-methylbenzene-1-sulfonate

There total 13 articles about 2-Aminophenyl 4-methylbenzene-1-sulfonate 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: 99.0%

2-amino-phenol (95-55-6) + p-toluenesulfonyl chloride (98-59-9) → 2-aminophenyl p-toluenesulfonate (1216-96-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1271/bbb.120547

Reference yield: 89.0%

toluene-4-sulfonic acid 2-tert-butoxycarbonylaminophenyl ester (1095280-67-3) → 2-aminophenyl p-toluenesulfonate (1216-96-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1002/ejoc.200800672

Reference yield: 14.0%

N-Phenylhydroxylamine (100-65-2) + p-toluenesulfonyl chloride (98-59-9) → 2-aminophenyl p-toluenesulfonate (1216-96-2) + N-phenyl N-(4-methylphenylsulfonyl) hydroxylamine (38557-76-5)

Guidance literature:

With triethylamine; In diethyl ether; for 2h;

upstream raw materials:

2-(acetylamino)phenol

p-toluenesulfonyl chloride

2-nitrophenyl p-toluenesulphonate

N-Phenylhydroxylamine

Downstream raw materials:

2-(4-Dimethylamino-phenylazo)-phenol

toluene-4-sulfonic acid 2-acetylamino-phenyl ester

N-<2-(4-Methylphenylsulfonyloxy)phenyl>benzamid

2-{[(4-methylphenyl)sulfonyl]amino}phenyl 4-meythylbenzenesulfonate