3-Aminooctanoic acid

Base Information

• Chemical Name: 3-Aminooctanoic acid
• CAS No.: 104883-49-0
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.23
• Hs Code.: 2922499990
• NSC Number: 165010
• DSSTox Substance ID: DTXSID90304261
• Wikidata: Q27144079
• Metabolomics Workbench ID: 1853
• Mol file: 104883-49-0.mol

Synonyms:3-aminooctanoic acid;104883-49-0;3-amino-octanoic acid;Octanoic acid, 3-amino-, (1)-;3-aminocaprylic acid;3-aminooctanoicacid;NSC165010;beta-aminocaprylic acid;beta-aminooctanoic acid;Mosapridecitratedihydrate;SCHEMBL626959;CHEBI:73739;DTXSID90304261;LMFA01100020;MFCD00123305;AKOS006272147;NSC-165010;TS-7195;D88166;EN300-1284449;A848077;Q27144079

Chemical Property of 3-Aminooctanoic acid

Chemical Property:

• Boiling Point: 273.2 °C at 760 mmHg
• Flash Point: 119 °C
• PSA: 63.32000
• Density: 0.999 g/cm³
• LogP: 2.06900
• Storage Temp.: 2-8°C
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-octanoicacid 97 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC(=O)O)N

Technology Process of 3-Aminooctanoic acid

There total 8 articles about 3-Aminooctanoic 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:

(E)-oct-2-enoic acid (1871-67-6) → 3-Amino octanoic acid (104883-49-0)

Guidance literature:

Multi-step reaction with 3 steps

1: Amberlite IR-120 (H⁺) resin / 12 h

2: 163 mg / pyridine; EtONa / 24 h / Heating

3: aq. KOH / 4 h / 50 °C

With pyridine; potassium hydroxide; Amberlite IR-120 (H⁺) resin; sodium ethanolate;

DOI:10.1021/jm061307x

Reference yield:

Methyl 3-phthalimidooctanoate (141627-79-4) → 3-Amino octanoic acid (104883-49-0)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 2h;

DOI:10.1016/S0040-4020(01)88753-6

Reference yield:

hexanal (66-25-1) → 3-Amino octanoic acid (104883-49-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 12.9 g / pyridine, pyrrolidine / 0.5 h / Heating

2: diethyl ether

3: pyridine / EtONa / 24 h / Heating

4: 6N NaOH / 2 h / 100 °C

With pyrrolidine; pyridine; sodium hydroxide; sodium ethanolate; In diethyl ether;

DOI:10.1016/S0040-4020(01)88753-6

upstream raw materials:

3-amino-3-(5-methyl-[2]thienyl)-propionic acid

Methyl 3-phthalimidooctanoate

(E)-oct-2-enoic acid

methyl (E)-oct-2-enoate

Refernces

• 1、 Gerwick, William H.,Jiang, Zhi D.,Agarwal, Santosh K.,Farmer, Bennett T.. "Total structure of hormothamnin A, a toxic cyclic undecapeptide from the tropical marine cyanobacterium hormothamnion enteromorphoides". . p. 2313 - 2324. Retrieved 2007/10/02.