Methyl 3-aminobutanoate hydrochloride

Base Information

• Chemical Name: Methyl 3-aminobutanoate hydrochloride
• CAS No.: 137132-12-8
• Molecular Formula: C5H11NO2.ClH
• Molecular Weight: 153.609
• European Community (EC) Number: 833-388-2,936-168-5
• Mol file: 137132-12-8.mol

Synonyms:methyl 3-aminobutanoate hydrochloride;137132-12-8;Butanoic acid, 3-amino-, methyl ester, hydrochloride;methyl 3-aminobutanoate HCl;methyl 3-aminobutanoate;hydrochloride;MFCD12068616;MFCD12068617;R-3-amino-Butanoic acid methyl ester hydrochloride;(3RS)-3-aminobutanoic acid methyl ester hydrochloride;SCHEMBL2746439;methyl3-aminobutanoatehydrochloride;YNRQJTGGWNTZLJ-UHFFFAOYSA-N;Methyl-3-aminobutanoate hydrochloride;MFCD07852065;3-Aminobutanoic acid methyl ester HCl;AKOS008068514;AS-47642;SY024610;SY212047;Methyl (R)-3-Aminobutanoate Hydrochloride;methyl (RS)-3-amino-butyrate hydrochloride;CS-0147336;FT-0697631;EN300-34467;F14792;A886551;S-3-amino-Butanoic acid methyl ester hydrochloride;(3RS)-3-aminobutyric acid methyl ester hydrochloride;Z169856728;(S)-3-Amino-butyric acid methyl ester.HCl(beta-HoAla-OMe.HCl)

Chemical Property of 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:

97% ^*data from raw suppliers

Methyl3-aminobutanoatehydrochloride ^*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

Technology Process of Methyl 3-aminobutanoate hydrochloride

There total 3 articles about 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) + 3-aminobutyric acid (2835-82-7) → (3RS)-3-aminobutanoic acid methyl ester hydrochloride (137132-12-8)

Guidance literature:

With thionyl chloride; at -15 - 20 ℃;

DOI:10.1016/j.tetasy.2009.12.021

Reference yield: 98.0%

3-aminobutyric acid (2835-82-7) → (3RS)-3-aminobutanoic acid methyl ester hydrochloride (137132-12-8)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

DOI:10.1002/hlca.200790057

Reference yield:

methyl 3-aminocrotonate (21731-17-9) → (3RS)-3-aminobutanoic acid methyl ester hydrochloride (137132-12-8)

Guidance literature:

With hydrogenchloride; hydrogen; Pt/C; In methanol;

upstream raw materials:

methanol

3-aminobutyric acid

methyl 3-aminocrotonate

Downstream raw materials:

methyl 3-(N,N-dibenzylamino)butanoate

C₁₂H₂₁NO₅

C₉H₁₅NO₅

(S)-3-aminobutanoic acid methyl ester hydrochloride

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