Methyl 2-aminohexanoate hydrochloride

Base Information

• Chemical Name: Methyl 2-aminohexanoate hydrochloride
• CAS No.: 77300-48-2
• Molecular Formula: C₇H₁₅NO₂*ClH
• Molecular Weight: 181.663
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80554798
• Mol file: 77300-48-2.mol

Synonyms:77300-48-2;methyl 2-aminohexanoate hydrochloride;DL-Norleucine methyl ester hydrochloride;DL-NORLEUCINE METHYL ESTER HCL;H-DL-Nle-OMe HCl;DL-Norleucine methyl ester, HCl;methyl 2-aminohexanoate;hydrochloride;H-DL-Nle-OMe . HCl;L-2-Aminohexanoic acid-methyl ester . HCl;DL-2-Aminohexanoic acid-methyl ester . HCl;MFCD00077151;H-D-Nle-OMeHCl;SCHEMBL186088;DTXSID80554798;FMMOVZRXLNVNBI-UHFFFAOYSA-N;L-Norleucinemethylesterhydrochloride;methyl DL-norleucinate hydrochloride;MFCD00058296;MFCD09919980;AKOS016003691;CS-W017144;AS-30541;SY101861;SY103441;DL-NORLEUCINEMETHYLESTERHYDROCHLORIDE;DL-2-Aminohexanoic acid-methyl ester HCl;(1-methoxy-1-oxohexan-2-yl)azanium;chloride;Methyl norleucinate--hydrogen chloride (1/1);EN300-135794;A865307;Z1675167157

Chemical Property of Methyl 2-aminohexanoate hydrochloride

Chemical Property:

• Melting Point: 117-119℃ (methanol water )
• Boiling Point: 175.4 °C at 760 mmHg
• Flash Point: 48.4 °C
• 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:

98%,99%, ^*data from raw suppliers

DL-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
• Uses: DL-Norleucine methyl ester, HCl

Technology Process of Methyl 2-aminohexanoate hydrochloride

There total 5 articles about 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:

methanol (67-56-1) + 2-amino-hexanoic acid (616-06-8) → norleucine methyl ester hydrochloride (3844-54-0,60687-33-4,77300-48-2)

Guidance literature:

With hydrogenchloride; for 18h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85141-3

Reference yield:

methyl 2-((diphenylmethylene)amino)hexanoate (203855-78-1) → norleucine methyl ester hydrochloride (3844-54-0,60687-33-4,77300-48-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 6h;

DOI:10.1021/ol990956i

Reference yield:

C20H25NO2 → norleucine methyl ester hydrochloride (3844-54-0,60687-33-4,77300-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,3-dichloro-5,6-dicyanobenzoquinone; molecular sieves 4 Angstroem / benzene / 1 h / 60 °C

2: aq. HCl / diethyl ether / 6 h

With hydrogenchloride; 4 A molecular sieve; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In diethyl ether; benzene;

DOI:10.1021/ol990956i

upstream raw materials:

methanol

2-amino-hexanoic acid

L-Norleucine

methyl 2-((diphenylmethylene)amino)hexanoate

Downstream raw materials:

methyl 2-((diphenylmethylene)amino)hexanoate

methyl 2-benzylideneaminohexanoate

N-(4-methoxybenzoyl)-DL-norleucine

2-tert-Butoxycarbonylamino-hexanoic acid methyl ester

Refernces

• 1、 Han, Bao Feng,Shi, Qing Ming,Wang, Xian Feng,Liu, Jian Bo,Qiang, Sheng,Yang, Chun Long. "Synthesis and bioactivity of novel 3-(1-hydroxyethylidene)-5-substituted- pyrrolidine-2,4-dione derivatives". experimental part. p. 1023 - 1026. Retrieved 2012/10/08.
• 2、 Miyazawa, Toshifumi,Imagawa, Kiwamu,Minowa, Hiroe,Miyamoto, Toyoko,Yamada, Takashi. "Resolution of non-protein amino acids via the microbial protease-catalyzed enantioselective hydrolysis of their N-unprotected esters". . p. 10254 - 10261. Retrieved 2007/10/03.