N-(2-formylphenyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(2-formylphenyl)-4-methylbenzenesulfonamide
• CAS No.: 6590-65-4
• Molecular Formula: C14H13 N O3 S
• Molecular Weight: 275.328
• Hs Code.: 2935009090
• NSC Number: 120186
• DSSTox Substance ID: DTXSID90298010
• Nikkaji Number: J1.346.431F
• Wikidata: Q82039556
• ChEMBL ID: CHEMBL1448552
• Mol file: 6590-65-4.mol

Synonyms:2-tosylaminobenzaldehyde

Chemical Property of N-(2-formylphenyl)-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 4.05E-08mmHg at 25°C
• Melting Point: 203-205 °C
• Boiling Point: 445.1°C at 760 mmHg
• PKA: 7.94±0.10(Predicted)
• Flash Point: 223°C
• PSA: 71.62000
• Density: 1.333g/cm³
• LogP: 3.76210
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 275.06161445
• Heavy Atom Count: 19
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Formylphenyl)-4-methylbenzenesulfonamide 95+% ^*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)NC2=CC=CC=C2C=O

Technology Process of N-(2-formylphenyl)-4-methylbenzenesulfonamide

There total 27 articles about N-(2-formylphenyl)-4-methylbenzenesulfonamide 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: 97.0%

2-Aminobenzyl alcohol (5344-90-1) + p-toluenesulfonyl chloride (98-59-9) → N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamide (6590-65-4)

Guidance literature:

2-Aminobenzyl alcohol; p-toluenesulfonyl chloride; With pyridine; In chloroform; at 20 ℃; for 12h; Inert atmosphere; Schlenk technique;

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1039/c5cc04279h

Reference yield: 96.0%

N-(2-hydroxymethylphenyl)-4-methylbenzenesulfonamide (90312-02-0) → N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamide (6590-65-4)

Guidance literature:

With manganese(IV) oxide; In toluene; at 80 ℃; for 48h;

DOI:10.3987/COM-16-S(S)76

Reference yield: 91.0%

o-aminobenzaldehyde (529-23-7) + p-toluenesulfonyl chloride (98-59-9) → N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamide (6590-65-4)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1055/s-0032-1316539

upstream raw materials:

2-chloro-benzaldehyde

toluene-4-sulfonamide

o-aminobenzaldehyde

p-toluenesulfonyl chloride

Downstream raw materials:

N-(o-tosylaminobenzylidene)ethylamine

N-(o-tosylaminobenzylidene)methylamine

N-(o-tosylaminobenzylidene)benzylamine

o-tosylaminobenzaldehyde morpholinal