(R)-Methyl 3-aminobutanoate hydrochloride

Base Information

• Chemical Name: (R)-Methyl 3-aminobutanoate hydrochloride
• CAS No.: 139243-54-2
• Molecular Formula: C5H12ClNO2
• Molecular Weight: 153.609
• Hs Code.: 2922498590
• European Community (EC) Number: 816-356-2
• Mol file: 139243-54-2.mol

Synonyms:139243-54-2;(R)-Methyl 3-aminobutanoate hydrochloride;methyl (3R)-3-aminobutanoate hydrochloride;methyl (3R)-3-aminobutanoate;hydrochloride;(R)-3-Amino-butyric acid methyl ester, HCl;Butanoic acid, 3-amino-, methyl ester, hydrochloride, (R)-;R-3-amino-Butanoic acid methyl ester hydrochloride;Methyl (R)-homo-beta-alaninate HCl;MFCD12068616;SCHEMBL7327737;methyl (r)-3-aminobutanoate hcl;YNRQJTGGWNTZLJ-PGMHMLKASA-N;Butanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3R)-;AKOS025405204;(R)-Methyl3-aminobutanoatehydrochloride;DS-9006;CS-0059282;Methyl (R)-homo-beta-alaninate hydrochloride;EN300-364644;methyl (3R)-3-aminobutanoate hydrochloride salt;(R)-3-Amino-butyric acid methyl ester hydrochloride

Chemical Property of (R)-Methyl 3-aminobutanoate hydrochloride

Chemical Property:

• PSA: 52.32000
• LogP: 1.39900
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.0556563
• Heavy Atom Count: 9
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

(R)-Methyl3-aminobutanoatehydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)OC)N.Cl
• Isomeric SMILES: C[C@H](CC(=O)OC)N.Cl

Technology Process of (R)-Methyl 3-aminobutanoate hydrochloride

There total 5 articles about (R)-Methyl 3-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: 99.2%

(R)-3-aminobutanoic acid (3775-73-3) → (R)-3-aminobutanoic acid methyl ester hydrochloride (139243-54-2)

Guidance literature:

With thionyl chloride; In ethanol; at 0 - 30 ℃; Inert atmosphere;

Reference yield: 97.0%

chloro-trimethyl-silane (75-77-4) + (R)-3-aminobutanoic acid (3775-73-3) → (R)-3-aminobutanoic acid methyl ester hydrochloride (139243-54-2)

Guidance literature:

In methanol; a) 0 deg C, 1 h, b) room temp., 8 h;

DOI:10.1021/jo00034a037

Reference yield: 95.0%

methanol (67-56-1) + (R)-3-aminobutanoic acid (3775-73-3) → (R)-3-aminobutanoic acid methyl ester hydrochloride (139243-54-2)

Guidance literature:

With thionyl chloride; at 20 ℃;

upstream raw materials:

chloro-trimethyl-silane

(R)-3-aminobutanoic acid

(3RS)-3-aminobutanoic acid methyl ester hydrochloride

malonic acid dimethyl ester

Downstream raw materials:

(R)-3-amino-1-butanol

methyl 3-(R)-[N-(tert-butoxycarbonyl)amino]-propanoate

(R)-3-aminobutanoic acid methyl ester

methyl (R)-3-(benzyloxycarbonylamino)-butanoate

Refernces

• 1、 -. "A chiral 2 - substituted - 4 - piperidone - 1 - carboxylic acid tert-butyl synthetic method". Paragraph 0046; 0048. . Retrieved 2017/08/26.
• 2、 Cardillo, Giuliana,Gennari, Arianna,Gentilucci, Luca,Mosconi, Elisa,Tolomelli, Alessandra,Troisi, Stefano. "Synthesis of chiral non-racemic intermediates and Arg-Gly-Asp mimetics by CaLB-catalyzed resolution". experimental part. p. 96 - 102. Retrieved 2010/04/06.