Octyl 2-aminoacetate Hydrochloride

Base Information

• Chemical Name: Octyl 2-aminoacetate Hydrochloride
• CAS No.: 39540-30-2
• Molecular Formula: C10H22ClNO2
• Molecular Weight: 223.743
• Hs Code.: 2922499990
• European Community (EC) Number: 629-934-2
• DSSTox Substance ID: DTXSID90374707
• Mol file: 39540-30-2.mol

Synonyms:Octyl 2-aminoacetate Hydrochloride;39540-30-2;Glycine n-octyl ester hydrochloride;GLYCINE-1-OCTYL ESTER HYDROCHLORIDE;octyl 2-aminoacetate;hydrochloride;Octyl 2-aminoacetate HCl;octyl glycinate hydrochloride;SCHEMBL6689298;glycine octyl ester hydrochloride;DTXSID90374707;MFCD00151827;octyl 2-azanylethanoate hydrochloride;AKOS016009605;CS-W013080;DS-5120;HY-W012364;2-aminoacetic acid octyl ester hydrochloride;FT-0626762;FT-0626771;A824609

Chemical Property of Octyl 2-aminoacetate Hydrochloride

Chemical Property:

• Vapor Pressure: 0.0321mmHg at 25°C
• Melting Point: 66-72 °C
• Boiling Point: 243.5 °C at 760 mmHg
• Flash Point: 108.5 °C
• PSA: 52.32000
• LogP: 3.35110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 223.1339066
• Heavy Atom Count: 14
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

Octyl2-aminoacetatehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)CN.Cl

Technology Process of Octyl 2-aminoacetate Hydrochloride

There total 4 articles about Octyl 2-aminoacetate 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: 92.0%

octanol (111-87-5) + 2-aminoethanoic acid hydrochloride (6000-43-7) → octyloxycarbonylmethylammonium chloride (39540-30-2)

Guidance literature:

With hydrogenchloride; at 120 - 130 ℃;

DOI:10.1007/BF00773019

Reference yield: 80.0%

glycine octyl ester (94856-68-5) → octyloxycarbonylmethylammonium chloride (39540-30-2)

Guidance literature:

With hydrogenchloride; for 1h;

Reference yield:

octanol (111-87-5) + glycine (56-40-6,18875-39-3,25718-94-9) → octyloxycarbonylmethylammonium chloride (39540-30-2)

Guidance literature:

octanol; glycine; With toluene-4-sulfonic acid; In toluene; at 140 - 150 ℃;

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/j.ijpharm.2020.119031

upstream raw materials:

octanol

2-aminoethanoic acid hydrochloride

glycine octyl ester

glycine

Refernces

• 1、 -. "Amino acid ester hydrochloride and preparation method and application thereof". . . Retrieved 2019/10/17.
• 2、 Limanov, V. E.,Svitova, I. R.,Kruchenok, T. B.,Tsvirova, I. M.,Yaroslavskaya, L. A.. "SYNTHESIS AND BACTERICIDAL ACTIVITY OF AMINO ACID HIGHER ESTER HYDROCHLORIDES". . p. 708 - 711. Retrieved 2007/10/02.