4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide

Base Information

• Chemical Name: 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide
• CAS No.: 132130-13-3
• Molecular Formula: C₁₃H₁₈N₂O₃S
• Molecular Weight: 282.364
• European Community (EC) Number: 632-246-5
• DSSTox Substance ID: DTXSID80396655

Synonyms:4-methyl-N-(2-oxoazepan-3-yl)benzenesulfonamide;132130-13-3;4-METHYL-N-(2-OXO-3-AZEPANYL)BENZENESULFONAMIDE;N-(2-Oxoazepan-3-yl)-4-methylbenzenesulfonamide;SCHEMBL4668674;DTXSID80396655;BAHGCTIAAMBBJI-UHFFFAOYSA-N;SALOR-INT L173320-1EA;AKOS024406622;3-(4'-Methylbenzenesulfonylamino)azepan-2-one;4-methyl-N-(2-oxoazepan-3-yl)benzene-1-sulfonamide;Z414478214

Chemical Property of 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.10381361
• Heavy Atom Count: 19
• Complexity: 408

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCNC2=O

Technology Process of 4-Methyl-N-(2-oxo-3-azepanyl)benzenesulfonamide

There total 4 articles about 4-Methyl-N-(2-oxo-3-azepanyl)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:

N-tosyl-N'-benzyloxycarbonyl-L-lysine (34235-82-0) → N-((S)-2-oxo-hexahydro-azepin-3-yl)-toluene-4-sulfonamide (132130-13-3,147489-88-1)

Guidance literature:

Multi-step reaction with 3 steps

2: ethanol; NH₃

3: palladium; methanol; acetic acid / Hydrogenation

With methanol; ethanol; ammonia; palladium; acetic acid;

DOI:10.1039/jr9570004830

Reference yield:

N6-benzyloxycarbonyl-N2-(toluene-4-sulfonyl)-L-lysine amide (102373-49-9) → N-((S)-2-oxo-hexahydro-azepin-3-yl)-toluene-4-sulfonamide (132130-13-3,147489-88-1)

Guidance literature:

With methanol; palladium; acetic acid; Hydrogenation;

DOI:10.1039/jr9570004830

Reference yield:

Nα-p-tosyl-L-lysine methyl ester hydrochloride (5266-48-8) → N-((S)-2-oxo-hexahydro-azepin-3-yl)-toluene-4-sulfonamide (132130-13-3,147489-88-1)

Guidance literature:

With methanol; chloroform; ammonia;

DOI:10.1039/jr9570004830

upstream raw materials:

N⁶-benzyloxycarbonyl-N²-(toluene-4-sulfonyl)-L-lysine amide

Nα-p-tosyl-L-lysine methyl ester hydrochloride

(S)-methyl 6-(((benzyloxy)carbonyl)amino)-2-(4-methylphenylsulfonamido)hexanoate

N-tosyl-N'-benzyloxycarbonyl-L-lysine

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