(S)-Methyl 2-aminohexanoate hydrochloride

Base Information

• Chemical Name: (S)-Methyl 2-aminohexanoate hydrochloride
• CAS No.: 3844-54-0
• Molecular Formula: C7H15NO2.ClH
• Molecular Weight: 181.663
• Hs Code.: 2922499990
• European Community (EC) Number: 898-091-2
• DSSTox Substance ID: DTXSID40554799
• Mol file: 3844-54-0.mol

Synonyms:3844-54-0;(S)-Methyl 2-aminohexanoate hydrochloride;H-NLE-OME HCL;L-Norleucine methyl ester hydrochloride;H-Nle-OMe.HCl;H-Nle-OMe hydrochloride;methyl L-norleucinate hydrochloride;(S)-METHYL 2-AMINOHEXANOATE HCL;methyl (2S)-2-aminohexanoate;hydrochloride;methyl (S)-2-aminohexanoate hydrochloride;Norleucine, methyl ester, hydrochloride;MFCD00077151;(S)-Methyl2-aminohexanoatehydrochloride;L-Nle-OMe⋅HCl;SCHEMBL186089;L-Norleucine methyl ester HCl;DTXSID40554799;FMMOVZRXLNVNBI-RGMNGODLSA-N;rac-methyl norleucinate hydrochloride;H-Nle-OMe hydrochloride, AldrichCPR;AKOS016003027;AM82593;AS-49939;L-2-Aminohexanoic acid-methyl ester HCl;methyl(2s)-2-aminohexanoate hydrochloride;methyl (2s)-2-aminohexanoate hydrochloride;CS-0152444;O10226;EN300-7376869;Methyl L-norleucinate--hydrogen chloride (1/1);L-2-Aminohexanoic acid methyl ester hydrochloride;(S)-2-amino-hexanoic acid methyl ester hydrochloride

Chemical Property of (S)-Methyl 2-aminohexanoate hydrochloride

Chemical Property:

• Melting Point: 131-132℃
• PSA: 52.32000
• LogP: 2.17920
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

L-Norleucine methyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)OC)N.Cl
• Isomeric SMILES: CCCC[C@@H](C(=O)OC)N.Cl

Technology Process of (S)-Methyl 2-aminohexanoate hydrochloride

There total 13 articles about (S)-Methyl 2-aminohexanoate hydrochloride 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: 97.0%

methanol (67-56-1) + L-Norleucine (327-57-1) → L-2-aminohexanoic acid-methyl ester hydrochloride (3844-54-0)

Guidance literature:

With thionyl chloride; at 20 ℃; for 24h;

DOI:10.1021/jm990226g

Reference yield: 69.0%

L-lysine methyl ester (687-64-9) → L-2-aminohexanoic acid-methyl ester hydrochloride (3844-54-0)

Guidance literature:

L-lysine methyl ester; With N-(benzyloxy)-N-(pivaloyloxy)-4-(trifluoromethyl)benzamide; In acetonitrile; at 25 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In 1,4-dioxane;

DOI:10.1021/jacs.1c09779

Reference yield:

L-Norleucine (327-57-1) → L-2-aminohexanoic acid-methyl ester hydrochloride (3844-54-0)

Guidance literature:

With nitrogen; In ethanol;

upstream raw materials:

methanol

2-amino-hexanoic acid

L-Norleucine

methyl 2-((diphenylmethylene)amino)hexanoate

Downstream raw materials:

2-tert-Butoxycarbonylamino-hexanoic acid methyl ester

methyl N-{[(1-ethylcyclohexyl)methoxy]carbonyl}-L-norleucinate

methyl 2-((diphenylmethylene)amino)hexanoate

(S)-2-tosylamino-1-hexanol

Refernces

• 1、 Wang, Tianli,Yu, Zhaoyuan,Hoon, Ding Long,Phee, Claire Yan,Lan, Yu,Lu, Yixin. "Regiodivergent Enantioselective γ-Additions of Oxazolones to 2,3-Butadienoates Catalyzed by Phosphines: Synthesis of α,α-Disubstituted α-Amino Acids and N,O-Acetal Derivatives". supporting information. p. 265 - 271. Retrieved 2016/01/25.
• 2、 -. "QUINAZOLINEDIONE CHYMASE INHIBITORS". Page/Page column 48. . Retrieved 2009/04/25.