6-[Methyl-(4-methylphenyl)sulfonylamino]hexanoic acid

Base Information

• Chemical Name: 6-[Methyl-(4-methylphenyl)sulfonylamino]hexanoic acid
• CAS No.: 6954-30-9
• Molecular Formula: C14H21 N O4 S
• Molecular Weight: 299.391
• NSC Number: 38052
• DSSTox Substance ID: DTXSID20284623
• Wikidata: Q82019656
• Mol file: 6954-30-9.mol

Synonyms:6954-30-9;NSC 38052;6-[methyl-(4-methylphenyl)sulfonylamino]hexanoic acid;NSC38052;SCHEMBL599787;DTXSID20284623;NSC-38052

Chemical Property of 6-[Methyl-(4-methylphenyl)sulfonylamino]hexanoic acid

Chemical Property:

• Vapor Pressure: 9.35E-10mmHg at 25°C
• Boiling Point: 473.1°C at 760 mmHg
• Flash Point: 239.9°C
• Density: 1.205g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 299.11912932
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-[Methyl-(4-methylphenyl)sulfonylamino]hexanoic acid

There total 4 articles about 6-[Methyl-(4-methylphenyl)sulfonylamino]hexanoic acid 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:

p-toluenesulfonyl chloride (98-59-9) → 6-[methyl-(toluene-4-sulfonyl)-amino]-hexanoic acid (6954-30-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution

2: NaOH-solution

With sodium hydroxide;

Reference yield:

6-aminohexanoic acid (60-32-2,93208-38-9) → 6-[methyl-(toluene-4-sulfonyl)-amino]-hexanoic acid (6954-30-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution

2: NaOH-solution

With sodium hydroxide;

Reference yield:

6-(methylamino)hexanoic acid (26410-96-8) + p-toluenesulfonyl chloride (98-59-9) → 6-[methyl-(toluene-4-sulfonyl)-amino]-hexanoic acid (6954-30-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

6-(methylamino)hexanoic acid

p-toluenesulfonyl chloride

Tosyl-ε-aminocapronsaeure

dimethyl sulfate

Downstream raw materials:

N⁶-benzoyl-N⁶-methyl-lysine

6-(benzoyl-methyl-amino)-hexanoic acid

6-(methylamino)hexanoic acid