6-Acetamidohexanoic acid

Base Information

• Chemical Name: 6-Acetamidohexanoic acid
• CAS No.: 57-08-9
• Molecular Formula: C8H15 N O3
• Molecular Weight: 173.212
• Hs Code.: 2924199090
• European Community (EC) Number: 200-310-8
• NSC Number: 758219,12945
• UNII: 7IC4BO7D3R
• DSSTox Substance ID: DTXSID1045879
• Nikkaji Number: J4.575F
• Wikidata: Q4727167
• NCI Thesaurus Code: C80535
• ChEMBL ID: CHEMBL2105922
• Mol file: 57-08-9.mol

Synonyms:6-(acetylamino)hexanoic acid;6-acetamidohexanoic acid;6-acetylaminocaproic acid;6-acetylaminocaproic acid, calcium salt;6-acetylaminocaproic acid, monosodium salt;acexamic acid;Celuton;CY168E;epsilon-acetylaminocaproic acid;N-acetylamino-6-hexanoic acid;NAS-501;Plastenan;sodium acexamate;zinc acexamate

Chemical Property of 6-Acetamidohexanoic acid

Chemical Property:

• Appearance/Colour: White.
• Vapor Pressure: 1.12E-07mmHg at 25°C
• Melting Point: 102-106 ºC
• Refractive Index: 1.4590 (estimate)
• Boiling Point: 404.5°Cat760mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 198.4°C
• PSA: 66.40000
• Density: 1.074g/cm³
• LogP: 1.15840
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99.9% ^*data from raw suppliers

6-AcetamidohexanoicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCCCC(=O)O
• Uses: 6-Acetamidohexanoic acid is used after oral administration of an antiulcer agent, zinc acexamate (ZAC) for treatment of gastric ulcer or small bowel inflammation. wound healing agent
• Therapeutic Function: Antifibrinolytic

Technology Process of 6-Acetamidohexanoic acid

There total 11 articles about 6-Acetamidohexanoic 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: 79.0%

acetic anhydride (108-24-7) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(acetylamino)hexanoic acid (57-08-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield: 13.0%

6-acetamidogulonic acid (1402229-06-4) → 6-(acetylamino)hexanoic acid (57-08-9)

Guidance literature:

With hydrogen iodide; hydrogen; acetic acid; 1.06 wt.percent Pd-1.03 wt.percent Rh/Silica; at 160 ℃; for 1.5h; under 47304.6 Torr; Inert atmosphere;

Reference yield:

N-acetylcaprolactam (1888-91-1) → caprolactam (105-60-2,9012-16-2) + 6-(acetylamino)hexanoic acid (57-08-9) + 6-aminohexanoic acid (60-32-2,93208-38-9)

Guidance literature:

With water; at 100 ℃; Product distribution; different time of hydrolysis;

DOI:10.1007/BF00765612

upstream raw materials:

N-acetylcaprolactam

acetic anhydride

6-aminohexanoic acid

acetic acid

Downstream raw materials:

1,6-Hexanediamine

6-aminohexanoic acid

2-methyl-4,5,6,7-tetrahydro-3H-azepine

caprolactam

Refernces

• 1、 Plaziuk, Damian,Zakrzewski, Janusz,Salmain, Michele,Blauzi, Andrzej,Rychlik, Blaziej,Strzelczyk, Pawel,Bujacz, Anna,Bujacz, Grzegorz. "Ferrocene-biotin conjugates targeting cancer cells: Synthesis, interaction with avidin, cytotoxic properties and the crystal structure of the complex of avidin with a biotin-linker-ferrocene conjugate". . p. 5774 - 5783. Retrieved 2013.
• 2、 Tseliou, Vasilis,Knaus, Tanja,Masman, Marcelo F.,Corrado, Maria L.,Mutti, Francesco G.. "Generation of amine dehydrogenases with increased catalytic performance and substrate scope from ε-deaminating L-Lysine dehydrogenase". . . Retrieved 2019/08/22.
• 3、 Kubyshkin, Vladimir,Durkin, Patrick,Budisa, Nediljko. "Energetic contribution to both acidity and conformational stability in peptide models". supporting information. p. 5209 - 5220. Retrieved 2016/07/06.