N-[2-(3-Amino-phenyl)-acetyl]-4-methyl-benzenesulfonamide

Base Information

• Chemical Name: N-[2-(3-Amino-phenyl)-acetyl]-4-methyl-benzenesulfonamide
• CAS No.: 402508-84-3
• Molecular Formula: C15H16 N2 O3 S
• Molecular Weight: 304.36
• DSSTox Substance ID: DTXSID30453181
• Wikidata: Q82274246
• Mol file: 402508-84-3.mol

Synonyms:402508-84-3;N-[2-(3-AMINO-PHENYL)-ACETYL]-4-METHYL-BENZENESULFONAMIDE;DTXSID30453181;2-(3-Aminophenyl)-N-(4-methylbenzene-1-sulfonyl)acetamide

Chemical Property of N-[2-(3-Amino-phenyl)-acetyl]-4-methyl-benzenesulfonamide

Chemical Property:

• PSA: 101.13000
• LogP: 4.12710
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 304.08816355
• Heavy Atom Count: 21
• Complexity: 450

Purity/Quality:

95% ^*data from raw suppliers

N-[2-(3-amino-phenyl)-acetyl]-4-methyl-benzenesulfonamide 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)NC(=O)CC2=CC(=CC=C2)N

Technology Process of N-[2-(3-Amino-phenyl)-acetyl]-4-methyl-benzenesulfonamide

There total 3 articles about N-[2-(3-Amino-phenyl)-acetyl]-4-methyl-benzenesulfonamide 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: 42.0%

N-[2-(3-nitrophenyl)acetyl]-4-methylbenzenesulfonamide (161184-91-4) → N-[2-(3-aminophenyl)acetyl]-4-methylbenzenesulfonamide (402508-84-3)

Guidance literature:

With tin(ll) chloride; In ethanol; N,N-dimethyl-formamide; at 70 ℃; for 1h;

DOI:10.1021/jm0101500

Reference yield:

3-nitro-benzeneacetic acid (1877-73-2) → N-[2-(3-aminophenyl)acetyl]-4-methylbenzenesulfonamide (402508-84-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: CDI / CH₂Cl₂ / 1 h

1.2: CH₂Cl₂ / 1 h

1.3: 94 percent / DBU / CH₂Cl₂ / 16 h

2.1: 42 percent / tin(II) chloride hydrate / ethanol; dimethylformamide / 1 h / 70 °C

With 1,1'-carbonyldiimidazole; tin(ll) chloride; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm0101500

Reference yield:

toluene-4-sulfonamide (70-55-3) → N-[2-(3-aminophenyl)acetyl]-4-methylbenzenesulfonamide (402508-84-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: CDI / CH₂Cl₂ / 1 h

1.2: CH₂Cl₂ / 1 h

1.3: 94 percent / DBU / CH₂Cl₂ / 16 h

2.1: 42 percent / tin(II) chloride hydrate / ethanol; dimethylformamide / 1 h / 70 °C

With 1,1'-carbonyldiimidazole; tin(ll) chloride; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm0101500

upstream raw materials:

N-[2-(3-nitrophenyl)acetyl]-4-methylbenzenesulfonamide

3-nitro-benzeneacetic acid

toluene-4-sulfonamide