4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide
• CAS No.: 3893-40-1
• Molecular Formula: C₁₆H₁₇NO₃S
• Molecular Weight: 303.382
• DSSTox Substance ID: DTXSID101223185
• Nikkaji Number: J2.355.989G
• Mol file: 3893-40-1.mol

Synonyms:SCHEMBL15368932;DTXSID101223185;3893-40-1;4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide

Chemical Property of 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 303.09291458
• Heavy Atom Count: 21
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)C

Technology Process of 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide

There total 8 articles about 4-methyl-N-(2-oxo-1-phenylpropyl)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: 83.0%

chloroamine-T (127-65-1) + 1-phenyl-acetone (103-79-7,136675-26-8) → N-(2-oxo-1-phenyl-propyl)-4-methyl-benzenosulfonamide (3893-40-1)

Guidance literature:

With L-proline; In acetonitrile; at 20 ℃; for 24h;

DOI:10.1021/ol061410g

Reference yield: 45.8%

2-oxo-1-phenylpropan-1-aminium trifluoroacetate + p-toluenesulfonyl chloride (98-59-9) → N-(2-oxo-1-phenyl-propyl)-4-methyl-benzenosulfonamide (3893-40-1)

Guidance literature:

With sodium hydrogencarbonate; In acetone; at 0 - 20 ℃; for 7.5h;

DOI:10.1021/acs.joc.0c01438

Reference yield:

4-methyl-N-(1-phenyl-allyl)-benzenesulfonamide (58567-43-4) → 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide + N-(2-oxo-1-phenyl-propyl)-4-methyl-benzenosulfonamide (3893-40-1)

Guidance literature:

With oxygen; copper(l) chloride; palladium dichloride; In water; N,N-dimethyl-formamide; for 72h; Wacker oxidation;

DOI:10.1021/ja902591g

upstream raw materials:

4-toluenesulfonyl azide

1-phenyl-acetone

chloroamine-T

N-(p-tolylsulfonyl)-2-methyl-3-phenylaziridine

Downstream raw materials:

4-methyl-N-(2-methyl-1-phenylallyl)benzenesulfonamide

N-((R)-3-Hydroxy-2-methyl-1-phenyl-propyl)-4-methyl-benzenesulfonamide

N-[3-hydroxy-2-methyl-1-phenylpropyl]-4-methylbenzenesulfonamide

N-((1S*,2S*)-3-hydroxy-2-methyl-1-phenylpropyl)-4-methylbenzenesulfonamide