Hexanoic acid, 6-[[[4-(aminosulfonyl)phenyl]methyl]amino]-6-oxo-

Base Information

• Chemical Name: Hexanoic acid, 6-[[[4-(aminosulfonyl)phenyl]methyl]amino]-6-oxo-
• CAS No.: 142319-48-0
• Molecular Formula: C13H18N2O5S
• Molecular Weight: 314.362
• DSSTox Substance ID: DTXSID20439393
• Nikkaji Number: J500.492F
• Wikidata: Q82255335

Synonyms:142319-48-0;Hexanoic acid, 6-[[[4-(aminosulfonyl)phenyl]methyl]amino]-6-oxo-;DTXSID20439393;6-[(4-Sulfamoylbenzyl)amino]-6-oxohexanoic acid

Chemical Property of Hexanoic acid, 6-[[[4-(aminosulfonyl)phenyl]methyl]amino]-6-oxo-

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 314.09364285
• Heavy Atom Count: 21
• Complexity: 450

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC(=O)CCCCC(=O)O)S(=O)(=O)N

Technology Process of Hexanoic acid, 6-[[[4-(aminosulfonyl)phenyl]methyl]amino]-6-oxo-

There total 4 articles about Hexanoic acid, 6-[[[4-(aminosulfonyl)phenyl]methyl]amino]-6-oxo- 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: 95.0%

5-(4-Sulfamoyl-benzylcarbamoyl)-pentanoic acid methyl ester (928211-28-3) → 5-(4-Sulfamoyl-benzylcarbamoyl)-pentanoic acid (142319-48-0)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 4 ℃; for 24h;

DOI:10.1021/ja066780e

Reference yield:

methyl adipoyl chloride (35444-44-1) → 5-(4-Sulfamoyl-benzylcarbamoyl)-pentanoic acid (142319-48-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / Et₃N / acetonitrile; CH₂Cl₂ / 19 h / 20 °C

2: 95 percent / aq. LiOH / tetrahydrofuran / 24 h / 4 °C

With lithium hydroxide; triethylamine; In tetrahydrofuran; dichloromethane; acetonitrile;

DOI:10.1021/ja066780e

Reference yield:

4-homosulfanilamide (138-39-6) → 5-(4-Sulfamoyl-benzylcarbamoyl)-pentanoic acid (142319-48-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / Et₃N / acetonitrile; CH₂Cl₂ / 19 h / 20 °C

2: 95 percent / aq. LiOH / tetrahydrofuran / 24 h / 4 °C

With lithium hydroxide; triethylamine; In tetrahydrofuran; dichloromethane; acetonitrile;

DOI:10.1021/ja066780e

upstream raw materials:

5-(4-Sulfamoyl-benzylcarbamoyl)-pentanoic acid methyl ester

4-homosulfanilamide

methyl adipoyl chloride

mafenide hydrochloride

Downstream raw materials:

C₂₆H₄₃N₅O₁₀S

[2-(2-{2-[5-(4-sulfamoyl-benzylcarbamoyl)-pentanoylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester

C₅₅H₁₀₄N₄O₂₄S

hexanedioic acid [2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethyl]-amide 4-sulfamoyl-benzylamide

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