(S)-Methyl 3-aminobutanoate hydrochloride

Base Information

• Chemical Name: (S)-Methyl 3-aminobutanoate hydrochloride
• CAS No.: 139243-55-3
• Molecular Formula: C5H12ClNO2
• Molecular Weight: 153.609
• Hs Code.: 2922498590
• European Community (EC) Number: 817-000-9
• Mol file: 139243-55-3.mol

Synonyms:139243-55-3;(S)-Methyl 3-aminobutanoate hydrochloride;METHYL (S)-HOMO-BETA-ALANINATE HCL;methyl (3S)-3-aminobutanoate;hydrochloride;(S)-3-Amino-butyric acid methyl ester hydrochloride;Methyl (S)-3-aminobutanoate Hydrochloride;Butanoic acid, 3-aMino-, Methyl ester, hydrochloride, (3S)-;(S)-3-Amino-butyric acid methyl ester, HCl;MFCD12068617;SCHEMBL15903971;YNRQJTGGWNTZLJ-WCCKRBBISA-N;Butanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3S)-;(S)-Methyl3-aminobutanoatehydrochloride;AS-40285;methyl (3S)-3-aminobutanoate hydrochloride;CS-0147334;Methyl (S)-homo-beta-alaninate hydrochloride;EN300-267242;methyl (3S)-3-aminobutanoate hydrochloride salt;A886097

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

Chemical Property:

• PSA: 52.32000
• LogP: 1.39900
• 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: 3
• Exact Mass: 153.0556563
• Heavy Atom Count: 9
• Complexity: 82.5

Purity/Quality:

97% ^*data from raw suppliers

(S)-Methyl3-aminobutanoatehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 7 articles about (S)-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: 100.0%

methanol (67-56-1) + L-3-aminobutyric acid (3775-72-2) → (S)-3-aminobutanoic acid methyl ester hydrochloride (139243-55-3)

Guidance literature:

With thionyl chloride; at -5 - 20 ℃;

Reference yield: 97.0%

chloro-trimethyl-silane (75-77-4) + L-3-aminobutyric acid (3775-72-2) → (S)-3-aminobutanoic acid methyl ester hydrochloride (139243-55-3)

Guidance literature:

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

DOI:10.1021/jo00034a037

Reference yield: 91.0%

methyl ester of (S)-3-(benzoylamino)butanoic acid (113034-32-5) → (S)-3-aminobutanoic acid methyl ester hydrochloride (139243-55-3)

Guidance literature:

methyl ester of (S)-3-(benzoylamino)butanoic acid; With hydrogenchloride; In methanol; at 100 ℃; for 50h;

With thionyl chloride; In ethanol; for 6h;

upstream raw materials:

chloro-trimethyl-silane

L-3-aminobutyric acid

methanol

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

Downstream raw materials:

C₁₂H₂₁NO₅

(S)-3-Amino-N-methyl-butyramide

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