2-Aminooctanoic acid

Base Information

• Chemical Name: 2-Aminooctanoic acid
• CAS No.: 644-90-6
• Deprecated CAS: 2187-07-7
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.228
• Hs Code.: 29224985
• European Community (EC) Number: 211-424-2,218-579-5
• NSC Number: 123023,206255,20147
• DSSTox Substance ID: DTXSID50862352
• Nikkaji Number: J80.420G
• Wikidata: Q27145147
• Metabolomics Workbench ID: 1880
• Mol file: 644-90-6.mol

Synonyms:2-Aminooctanoic acid;644-90-6;dl-2-Aminooctanoic acid;dl-2-Aminocaprylic acid;2-Aminocaprylic acid;Octanoic acid, 2-amino-;2-Amino-DL-caprylic acid;DL-alpha-Aminocaprylic acid;(+-)-2-Aminooctanoic acid;2-amino-octanoic acid;Caprylic acid, alpha-amino-;NSC 20147;DL-2-Amino-n-octanoic Acid;dl-alpha-Amino-n-caprylic acid;dl-.alpha.-Amino-n-caprylic acid;alpha-Aminocaprylic acid;DL-2-amino-octanoic acid;(R)-2-Aminocaprylic acid;2187-07-7;Octanoic acid, 2-amino-, DL-;EINECS 211-424-2;EINECS 218-579-5;2-aminooctanoate;AI3-15286;(+/-)-2-Aminooctanoic acid;capryline;DL-2-Amino-n-caprylic Acid;aminocaprylic acid;aminooctanoic acid;2-aminooctanoicacid;dl-2-aminocaprylate;DL-2-Aminooctanoate;Octanoic acid, DL-;2-amino-dl-caprylate;2-amino-dl-octanoate;alpha-aminooctanoic acid;rac-2-aminooctanoic acid;2-amino-1-octanoic acid;2-amino-dl-octanoic acid;D,L-2-aminooctanoic acid;dl-alpha-amino-n-caprylate;.alpha.-Aminocaprylic acid;bmse000827;(RS)-2-aminooctanoic acid;(+/-)-2-amino-octanoate;Octanoic acid, (.+-.)-;SCHEMBL155233;DL-.alpha.-Aminocaprylic acid;(+/-)-2-amino-octanoic acid;CHEBI:75145;DL-2-Aminocaprylic acid, 99%;DTXSID50862352;NSC20147;BBL010495;LMFA01100056;MFCD00008102;NSC-20147;NSC123023;NSC206255;STK246887;AKOS005422626;Octanoic acid, 2-amino-, (.+.)-;AB88432;AB89098;GS-3060;NSC 123023;NSC-123023;NSC-206255;LS-97946;Octanoic acid, 2-amino-, (.+/-.)-;A0382;FT-0632738;FT-0690350;FT-0694481;D86759;EN300-307615;Q27145147

Chemical Property of 2-Aminooctanoic acid

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 260 °C (dec.)(lit.)
• Refractive Index: 1.4630 (estimate)
• Boiling Point: 267.8 °C at 760 mmHg
• PKA: 2.55±0.24(Predicted)
• Flash Point: 115.8 °C
• PSA: 63.32000
• Density: 0.999 g/cm³
• LogP: 2.06900
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetic Acid (Slightly), Aqueous Acid (Slightly), Aqueous Base (Slightly), Triflu
• XLogP3: -0.5
• 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:

98+% ^*data from raw suppliers

DL-2-Aminocaprylic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC(C(=O)O)N
• General Description: DL-2-Aminooctanoic acid (also known as α-aminooctanoic acid) is an α-amino fatty acid used in the synthesis of polyoxin L analogues with potential anticandidal activity. In this study, it was incorporated into dipeptidyl polyoxin L derivatives to enhance affinity for peptide transport systems and stability against intracellular degradation in *Candida albicans*. The resulting analogues demonstrated inhibitory effects on chitin synthetase and were recognized by the fungal dipeptide transport system, though their clinical efficacy may be limited due to moderate potency.

Technology Process of 2-Aminooctanoic acid

There total 30 articles about 2-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: 92.0%

acetylamino-hexyl-malonic acid diethyl ester (5463-91-2) → 2-aminooctanoic acid (644-90-6,2187-07-7)

Guidance literature:

With hydrogenchloride; water; at 90 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2008.09.025

Reference yield: 92.0%

Ethyl N-(trichloroacetyl)-2-aminooctanoate (138286-80-3) → 2-aminooctanoic acid (644-90-6,2187-07-7)

Guidance literature:

With potassium hydroxide; In methanol; Ambient temperature;

DOI:10.1021/jo00031a052

Reference yield: 69.0%

2-bromooctanoic acid (2623-82-7,70610-87-6) → 2-aminooctanoic acid (644-90-6,2187-07-7)

Guidance literature:

With ammonium hydroxide; for 168h; Ambient temperature;

DOI:10.1021/jm00398a027

upstream raw materials:

hydrogen cyanide

1-amino-heptan-1-ol

2-formylamino-octanoic acid

2-bromooctanoic acid

Downstream raw materials:

4-hexyl-oxazolidine-2,5-dione

α-hexylglycine ethyl ester

2-((tertbutoxycarbonyl)amino)octanoic acid

(R)-α-aminooctanoic acid

Refernces

Synthesis and anticandidal properties of polyoxin L analogues containing α-amino fatty acids

10.1021/jm00398a027

The research focuses on the synthesis and evaluation of polyoxin L analogues containing α-amino fatty acids with saturated fatty acid-like side chains for their potential as anticandidal agents. The purpose of the study was to develop synthetic polyoxins that could be designed to have increased affinity for a peptide transport system and increased stability against intracellular degradation in Candida albicans. The researchers synthesized analogues of polyoxin L using benzyloxycarbonyl-protected α-amino fatty acid p-nitrophenyl esters and uracil polyoxin C, yielding diastereomeric dipeptidyl polyoxin L analogues containing α-aminooctanoic acid, α-aminododecanoic acid, or α-aminohexadecanoic acid. These analogues were tested for their ability to inhibit chitin synthetase from Candida albicans, compete for peptide transport, and resist hydrolysis by cell extracts. The conclusions drawn from the study were that synthetic polyoxin L analogues with alkane-like side chains were effective substrates for the dipeptide transport system in C. albicans, efficient chitin synthetase inhibitors, and in some cases, stable to candidal cell extracts. However, the most potent analogue, compound 4, showed a minimum inhibitory concentration of 40-80 pg/mL, which may not be sufficient for clinical applications. The research involved a series of chemical syntheses, including the use of palladium black, formic acid, and various amino acids and their derivatives, such as α-aminooctanoic acid, α-aminododecanoic acid, and α-aminohexadecanoic acid, among others.

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