(S)-2-Aminoheptanoic acid

Base Information

• Chemical Name: (S)-2-Aminoheptanoic acid
• CAS No.: 44902-02-5
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90415624
• Nikkaji Number: J1.723.202I
• Wikidata: Q27120404
• Metabolomics Workbench ID: 1847
• ChEMBL ID: CHEMBL73530
• Mol file: 44902-02-5.mol

Synonyms:(S)-2-Aminoheptanoic acid;44902-02-5;(2S)-2-aminoheptanoic acid;L-2-Aminoheptanoic acid;L-Homonorleucine;Heptanoic acid, 2-amino-, (S)-;2S-aminoheptanoic acid;S-2-Aminoheptanoic acid;CHEBI:40682;homonorleucine;2-aminoheptanoate;(+)-Heptyline;(S)-2-Aminoheptanoicacid;L-2-Amino-heptanoic acid;H-Ahp(2)-OH;CHEMBL73530;SCHEMBL5967305;BDBM18139;DTXSID90415624;LMFA01100014;MFCD08275754;AKOS006284516;CS-W018819;DS-3410;EN300-256188;(2S)-2-Amino-heptanoic acid (H-L-Nle(Me)-OH);A872451;Q27120404

Chemical Property of (S)-2-Aminoheptanoic acid

Chemical Property:

• Boiling Point: 251 °C at 760 mmHg
• PKA: 2.55±0.24(Predicted)
• Flash Point: 105.6 °C
• PSA: 63.32000
• Density: 1.017 g/cm³
• LogP: 1.67890
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-AminoheptanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(C(=O)O)N
• Isomeric SMILES: CCCCC[C@@H](C(=O)O)N
• Uses: (S)-2-Aminoheptanoic Acid is used in method and compound for retaining nutrients in soil at planting sites.

Technology Process of (S)-2-Aminoheptanoic acid

There total 20 articles about (S)-2-Aminoheptanoic 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: 99.0%

(S)-2-heptanoic Acid → (2S)-2-aminoheptanoic acid (44902-02-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water; acetic acid;

DOI:10.1021/ja00249a031

Reference yield: 94.0%

(S)-2-Azido-heptanoic acid (139040-46-3) → (2S)-2-aminoheptanoic acid (44902-02-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 13h; under 760 Torr;

DOI:10.1021/ja00031a069

Reference yield: 76.0%

oenanthic acid (111-14-8) → (2S)-2-aminoheptanoic acid (44902-02-5)

Guidance literature:

oenanthic acid; With P_450CLA; dihydrogen peroxide; In aq. phosphate buffer; ethanol; at 20 ℃; for 20h; pH=7; Enzymatic reaction;

With D-HIC-DH; L-HIC-DH; L-Phe-DH; NAD; ammonium carbonate; ammonium chloride; In aq. phosphate buffer; ethanol; at 20 ℃; for 24h; pH=8; enantioselective reaction; Enzymatic reaction;

DOI:10.1002/adsc.201801377

upstream raw materials:

(S)-2-Azido-heptanoic acid

(2S)-N-para-toluenesulphonylaminoheptanoic acid tert-butyl ester

(R)-1,1,1-trichloro-2-heptanol

1,1,1-trichloro-heptan-2-one

Downstream raw materials:

(S)-2-[(tert-butoxycarbonyl)amino]heptanoic acid

(S)-2-{[((9H-Fluoren-9-yl)methoxy)carbonyl]amino}heptanoic acid

(S)-2-(3-((S)-1-carboxypentyl)ureido)-6-(4-iodobenzamido)hexanoic acid

Z-hnLeu-Gly-OEt

Refernces

• 1、 Dennig, Alexander,Blaschke, Fabio,Gandomkar, Somayyeh,Tassano, Erika,Nidetzky, Bernd. "Preparative Asymmetric Synthesis of Canonical and Non-canonical α-amino Acids Through Formal Enantioselective Biocatalytic Amination of Carboxylic Acids". supporting information. . Retrieved 2019/02/09.
• 2、 Xi, Xuedong,Lu, Xingzhong,Zhang, Xiaodong,Bi, Yuhui,Li, Xiaochun,Yu, Zhiguo. "Two novel cyclic depsipeptides Xenematides F and G from the entomopathogenic bacterium Xenorhabdus budapestensis". . . Retrieved 2019/07/12.