Methyl 6-aminohexanoate hydrochloride

Base Information

• Chemical Name: Methyl 6-aminohexanoate hydrochloride
• CAS No.: 1926-80-3
• Molecular Formula: C7H15 N O2 . Cl H
• Molecular Weight: 181.663
• Hs Code.: 2922499990
• European Community (EC) Number: 692-998-5
• DSSTox Substance ID: DTXSID60467594
• Mol file: 1926-80-3.mol

Synonyms:Methyl 6-aminohexanoate hydrochloride;1926-80-3;Methyl 6-aminocappoate hydrochloride;Methyl 6-aminocaproate hydrochloride;methyl 6-aminohexanoate;hydrochloride;Methyl 6-aminohexanoate, HCl;Hexanoic acid, 6-amino-, methyl ester, hydrochloride (1:1);MFCD00035455;Hexanoic acid, 6-amino-, methyl ester, hydrochloride;methyl 6-aminocaproate HCl;SCHEMBL134133;DTXSID60467594;4-PIPERAZINE-2-YL-PHENOL;methyl6-aminohexanoatehydrochloride;YSLDOTFAFZJPOC-UHFFFAOYSA-N;METHYL 6-AMINOHEXANOATE HCL;BCP15041;methyl 6-aminohexanate hydrochloride;Methyl-6-aminohexanoate hydrochloride;AKOS005189144;CS-W008066;SY025881;AM20090125;FT-0633914;6-aminocaproic acid methyl ester hydrochloride;6-aminohexanoic acid methylester hydrochloride;EN300-10519;6-aminohexanoic acid methyl ester hydrochloride;6-Amino-hexanoic acid methyl ester hydrochloride;6-aminohexanoic acid, methyl ester, hydrochloride;6-aminohexanoic acid methyl ester hydrochloride salt;J-522527;Methyl ester- 6-aMino- Hexanoic acid, hydrochloride;6-Amino-hexanoic acid methyl ester hydrochloride salt;Z57012282;Methyl 6-aminohexanoate hydrochloride, >=99.0% (AT)

Chemical Property of Methyl 6-aminohexanoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.542mmHg at 25°C
• Melting Point: 117-124 °C
• Boiling Point: 190.4oC at 760 mmHg
• Flash Point: 62oC
• PSA: 52.32000
• LogP: 2.18080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 93.6

Purity/Quality:

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

Methyl 6-aminohexanoate hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCN.Cl
• Uses: Methyl 6-aminohexanoate is used as a reagent to synthesize straight chain hydroxamates, compounds that act as inhibitors of Human Histone Deacetylase (HDAC) that have the potential to treat cancer. Methyl 6-aminohexanoate is also sometimes used as a spacer unit for peptide synthesis.

Technology Process of Methyl 6-aminohexanoate hydrochloride

There total 6 articles about Methyl 6-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: 100.0%

methanol (67-56-1) + 6-aminohexanoic acid (60-32-2,93208-38-9) → methyl 6-aminocaproate hydrochloride (1926-80-3)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 10h;

DOI:10.1021/jm010313k

Reference yield: 100.0%

→ methyl 6-aminocaproate hydrochloride (1926-80-3)

Guidance literature:

Reference yield: 99.0%

6-aminohexanoic acid (60-32-2,93208-38-9) → methyl 6-aminocaproate hydrochloride (1926-80-3)

Guidance literature:

With hydrogen chloride (gas); In methanol;

upstream raw materials:

N-tert-butoxycarbonyl-6-aminohexanoic acid methyl ester

methanol

6-aminohexanoic acid

6-(tert-butoxycarbonylamino)hexanoic acid

Downstream raw materials:

6-(2,4-dinitro-anilino)-hexanoic acid methyl ester

6-{[5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}hexanoic acid methyl ester

6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoic acid methyl ester

6-[(5-Phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoic acid methyl ester

Refernces

• 1、 Suchy, Mojmír,Milne, Mark,Elmehriki, Adam A. H.,McVicar, Nevin,Li, Alex X.,Bartha, Robert,Hudson, Robert H. E.. "Introduction of Peripheral Carboxylates to Decrease the Charge on Tm3+ DOTAM-Alkyl Complexes: Implications for Detection Sensitivity and in Vivo Toxicity of PARACEST MRI Contrast Agents". . p. 6516 - 6532. Retrieved 2015.
• 2、 Chen, Jingkao,Luo, Bingling,Wen, Shijun,Pi, Rongbiao. "Discovery of a novel rhein-SAHA hybrid as a multi-targeted anti-glioblastoma drug". . p. 755 - 764. Retrieved 2020.
• 3、 Nathanael, Joses G.,Nuske, Madison R.,Richter, Annika,White, Jonathan M.,Wille, Uta. "Oxidative damage of proline residues by nitrate radicals (NO3): A kinetic and product study". supporting information. p. 6949 - 6957. Retrieved 2020/10/02.