Methyl 3-aminopropionate hydrochloride

Base Information

• Chemical Name: Methyl 3-aminopropionate hydrochloride
• CAS No.: 3196-73-4
• Molecular Formula: C4H9NO2^.HCl
• Molecular Weight: 139.582
• Hs Code.: 29224999
• European Community (EC) Number: 831-677-8
• NSC Number: 17501
• DSSTox Substance ID: DTXSID00370492
• Mol file: 3196-73-4.mol

Synonyms:3196-73-4;Methyl 3-aminopropionate hydrochloride;Methyl 3-aminopropanoate Hydrochloride;beta-Alanine methyl ester hydrochloride;H-|A-Ala-OMe.HCl;Beta-alanine methyl ester, HCl;H-beta-Ala-OMe.HCl;MFCD00039060;h-beta-ala-ome hydrochloride;beta-alanine methyl ester hcl;b-alanine methyl ester hydrochloride;methyl 3-aminopropanoate;hydrochloride;Methyl 3-aminopropanoate (hydrochloride);Methyl beta-alaninate hydrochloride;3-aminopropionic acid methyl ester hydrochloride;b-alanine methyl ester hcl;|A-Alanine methyl ester hydrochloride;HEPTYLCINNAMATE;methyl 3-aminopropanoate,hydrochloride;H-?-Ala-OMe.HCl;H-$b-Ala-OMe.HCl;H-beta-Alanine methyl ester hydrochloride;H-?-Ala-OMe. HCl;3-aminopropanoic acid methyl ester hydrochloride;SCHEMBL21770;b-alanine methyl ester HCl salt;DTXSID00370492;XPGRZDJXVKFLHQ-UHFFFAOYSA-N;beta-alanine methyl ester HCl salt;NSC17501;METHYL 3-AMINOPROPIONATE HCL;NSC-17501;s6219;beta-alanin-methyl ester hydrochloride;beta-alanine methylester hydrochloride;AKOS000113506;beta alanine methyl ester hydrochloride;CS-W007648;HY-W007648;methyl 3-aminopropionate, hydrochloride;beta-alanine methyl ester hydro-chloride;beta-alanine methyl ester, hydrochloride;s12362;3-amino-propionic acid methyl ester HCl;AC-22369;SY004831;beta-alanine methyl ester monohydrochloride;beta-alanine methyl ester hydrochloride salt;AM20090461;FT-0622889;beta-alanine, methyl ester, hydrochloride salt;EN300-08798;N-(2-methoxycarbonylethyl)-amine hydrochloride;3-amino-propionic acid methyl ester hydrochloride;A821076;J-300316;Q-101862;3-amino-propionic acid methyl ester hydrochloric acid;3-amino-propionic acid methyl ester hydrochloride salt;beta-Alanine methyl ester hydrochloride, >=98.0% (AT);methyl 3-aminopropanoate hydrochloride

Chemical Property of Methyl 3-aminopropionate hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 3.6mmHg at 25°C
• Melting Point: 103-105 °C
• Boiling Point: 151.8 °C at 760 mmHg
• Flash Point: 26.5 °C
• PSA: 52.32000
• Density: 1.013g/cm3
• LogP: 1.01050
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.0400063
• Heavy Atom Count: 8
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

H-beta- ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CCN.Cl
• Uses: β-Alanine Methyl Ester is an intermediate in the synthesis of Trichostatin A (T774710) and Trapoxin B as histone deacetylase inhibitors.

Technology Process of Methyl 3-aminopropionate hydrochloride

There total 8 articles about Methyl 3-aminopropionate 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) + 3-amino propanoic acid (107-95-9) → methyl 3-aminopropanoate hydrochloride (3196-73-4)

Guidance literature:

methanol; With thionyl chloride; for 1h; Cooling with ice;

3-amino propanoic acid; at 20 - 66 ℃; for 6.5h;

Reference yield: 100.0%

chloro-trimethyl-silane (75-77-4) + 3-amino propanoic acid (107-95-9) → methyl 3-aminopropanoate hydrochloride (3196-73-4)

Guidance literature:

In methanol; for 5h; Inert atmosphere; Reflux;

DOI:10.1080/00304948.2021.1967022

Reference yield: 98.6%

methyl 2-cyanoacetate (105-34-0) → methyl 3-aminopropanoate hydrochloride (3196-73-4)

Guidance literature:

With hydrogen; potassium hydroxide; In methanol; at 30 ℃; for 2h; under 15001.5 Torr;

upstream raw materials:

methanol

3-amino propanoic acid

3-(tert-butyloxycarbonylamino)propionic acid

3-<(tert-butoxycarbonyl)amino>propionitrile

Downstream raw materials:

3-amino propanoic acid

2-methoxycarbonylethyl isocyanate

benzyloxycarbonyl-β-alanyl-β-alanyl-β-alanine methyl ester

2-chloro-4-nitrobenzoyl-β-Ala-OMe

Refernces

• 1、 Thodupunuri, Prashanth,Katukuri, Sirisha,Ramakrishna, Kallaganti V. S.,Sharma, Gangavaram V. M.,Kunwar, Ajit C.,Sarma, Akella V. S.,Hofmann, Hans-J?rg. "Solvent-Directed Switch of a Left-Handed 10/12-Helix into a Right-Handed 12/10-Helix in Mixed β-Peptides". . p. 2018 - 2031. Retrieved 2017.
• 2、 Khimich,Slabospitskaya,Korzhikov,Tennikova. "Synthesis of an unsaturated β-alanine derivative". . p. 1000 - 1002. Retrieved 2005.
• 3、 Huang, Boshi,Wang, Huiqun,Zheng, Yi,Li, Mengchu,Kang, Guifeng,Barreto-De-Souza, Victor,Nassehi, Nima,Knapp, Pamela E.,Selley, Dana E.,Hauser, Kurt F.,Zhang, Yan. "Structure-Based Design and Development of Chemical Probes Targeting Putative MOR-CCR5 Heterodimers to Inhibit Opioid Exacerbated HIV-1 Infectivity". . p. 7702 - 7723. Retrieved 2021/06/28.
• 4、 Mastitski, Anton,Troska, Alla,J?rv, Jaak. "Synthesis of Nω,Νω–di-Boc-3-guanidylpropanal - An Important Reagent for Synthesis of Aza-Arg Precursors". . p. 472 - 478. Retrieved 2021/09/18.