Methyl 4-aminobutanoate Hydrochloride

Base Information

• Chemical Name: Methyl 4-aminobutanoate Hydrochloride
• CAS No.: 13031-60-2
• Molecular Formula: C5H11NO2^.HCl
• Molecular Weight: 153.609
• Hs Code.: 2922499990
• European Community (EC) Number: 629-526-4
• DSSTox Substance ID: DTXSID80926678
• Mol file: 13031-60-2.mol

Synonyms:4-aminobutyric acid methyl ester;4-aminobutyric acid methyl ester hydrochloride;GABA methyl ester;gamma-aminobutyric acid methyl ester;methyl GABA

Chemical Property of Methyl 4-aminobutanoate Hydrochloride

Chemical Property:

• Vapor Pressure: 1.93mmHg at 25°C
• Melting Point: 120-125 °C
• Boiling Point: 164.8 °C at 760 mmHg
• Flash Point: 38.7 °C
• PSA: 52.32000
• Density: 0.99g/cm3
• LogP: 1.40060
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.0556563
• Heavy Atom Count: 9
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

Methyl 4-Aminobutyrate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCN.Cl
• Uses: Methyl 4-aminobutyrate, HCl

Technology Process of Methyl 4-aminobutanoate Hydrochloride

There total 8 articles about Methyl 4-aminobutanoate 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) + 4-amino-n-butyric acid (56-12-2) → methyl γ-aminobutyrate hydrochloride (13031-60-2)

Guidance literature:

With thionyl chloride; Ambient temperature;

DOI:10.1021/jm00376a005

Reference yield: 100.0%

methyl 4-nitrobutyrate (13013-02-0) → methyl γ-aminobutyrate hydrochloride (13031-60-2)

Guidance literature:

With triethylsilane; chloroform; palladium on activated charcoal; In methanol; for 0.5h;

DOI:10.1021/jo0706123

Reference yield: 90.0%

4-tert-butoxycarbonylaminobutyric acid methyl ester (85909-04-2) → methyl γ-aminobutyrate hydrochloride (13031-60-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate; for 3.5h;

DOI:10.1016/j.ejmech.2010.11.003

upstream raw materials:

methyl 4-phenylazobutanoate

methanol

4-amino-n-butyric acid

4-aminobutyric acid hydrochloride

Downstream raw materials:

4-(tritylamino)butyric acid methyl ester

methyl 4-<(diphenylmethylene)amino>butanoate

(S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-(3-methoxycarbonyl-propylcarbamoyl)-butyric acid benzyl ester

Methyl N-tert-butyloxycarbonyl-2-phenylthiazolidine-4-carbonyl-N'-γ-aminomethyl butyrate

Refernces

• 1、 Tassini, Sabrina,Langron, Emily,Delang, Leen,Mirabelli, Carmen,Lanko, Kristina,Crespan, Emmanuele,Kissova, Miroslava,Tagliavini, Giulia,Fontò, Greta,Bertoni, Simona,Palese, Simone,Giorgio, Carmine,Ravanetti, Francesca,Ragionieri, Luisa,Zamperini, Claudio,Mancini, Arianna,Dreassi, Elena,Maga, Giovanni,Vergani, Paola,Neyts, Johan,Radi, Marco. "Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach ?". . p. 10833 - 10847. Retrieved 2019.
• 2、 Zhang, Lei,Zhang, Li,Bian, Jiang,Jiang, Qixiao,Gao, Jianjun,Song, Weiguo. "Structural modification of histone deacetylase inhibitors with a phenylglycine scaffold". . p. 145 - 156. Retrieved 2018.
• 3、 Jiang, Yuqi,Li, Xiaoyang,Wang, Xue,Wang, Zhonglan,Zhang, Jian,Wu, Jingde,Xu, Wenfang. "Design, synthesis, and biological characterization of tamibarotene analogs as anticancer agents". . p. 542 - 555. Retrieved 2016.
• 4、 Stolyarova,Baltina,Kondratenko,Fedorova,Orshanskaya,Zarubaev,Baltina. "New amino-acid conjugates of glycyrrhizic acid". . p. 317 - 320. Retrieved 2014.
• 5、 Warther, David,Dursun, Enes,Recher, Marion,Ursuegui, Sylvain,Mosser, Michel,Sobska, Joanna,Krezel, Wojciech,Chaubet, Guilhem,Wagner, Alain. "Plasma induced acceleration and selectivity in strain-promoted azide-alkyne cycloadditions". supporting information. p. 5063 - 5067. Retrieved 2021/06/21.
• 6、 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.