3-Amino-2-methylpropanoic acid hydrochloride

Base Information

• Chemical Name: 3-Amino-2-methylpropanoic acid hydrochloride
• CAS No.: 28267-25-6
• Molecular Formula: C4H10ClNO2
• Molecular Weight: 139.582
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID40502513
• Mol file: 28267-25-6.mol

Synonyms:28267-25-6;3-amino-2-methylpropanoic acid hydrochloride;rac-3-Aminoisobutyric Acid Hydrochloride;3-amino-2-methylpropanoic acid;hydrochloride;3-Amino-2-methyl-propanoic acid HCl;1346602-62-7;MFCD12198194;MFCD12198195;SCHEMBL2582220;DTXSID40502513;AKOS026745154;3-amino-2-methylpropanoicacidhydrochloride;SY105716;SY127503;CS-0210672;FT-0661853;EN300-64099;F79989;3-Amino-2-methylpropanoic acid--hydrogen chloride (1/1)

Chemical Property of 3-Amino-2-methylpropanoic acid hydrochloride

Chemical Property:

• Melting Point: 130 °C
• PSA: 63.32000
• LogP: 1.16810
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.0400063
• Heavy Atom Count: 8
• Complexity: 72.1

Purity/Quality:

97% ^*data from raw suppliers

rac-3-aminoisobutyric acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)C(=O)O.Cl
• Uses: Substituted β-alanines. rac-3-Aminoisobutyric Acid Hydrochloride is used for preparation and isolation of D(-)-β-aminoisobutyric acid.

Technology Process of 3-Amino-2-methylpropanoic acid hydrochloride

There total 4 articles about 3-Amino-2-methylpropanoic acid 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: 99.0%

(RS)-5-methyltetrahydropyrimidin-4(1H)-one → (RS)-2-(aminomethyl)propanoic acid hydrochloride (28267-25-6,925704-45-6,132605-98-2)

Guidance literature:

With hydrogenchloride; water; at 90 ℃; for 24h;

DOI:10.1002/ejoc.201801134

Reference yield: 82.0%

ethyl 3-amino-2-methylpropanoate (22560-81-2) → (RS)-2-(aminomethyl)propanoic acid hydrochloride (28267-25-6,925704-45-6,132605-98-2)

Guidance literature:

With hydrogenchloride; for 10h; Heating;

DOI:10.1016/j.tet.2003.09.062

Reference yield: 64.0%

2-(2'-cyanopropyl)-1H-isoindole-1,3(2H)-dione (92932-15-5) → (RS)-2-(aminomethyl)propanoic acid hydrochloride (28267-25-6,925704-45-6,132605-98-2)

Guidance literature:

With hydrogenchloride; for 14h; Heating;

upstream raw materials:

2-(2'-cyanopropyl)-1H-isoindole-1,3(2H)-dione

formic acid

methacrylonitrile

ethyl 3-amino-2-methylpropanoate

Downstream raw materials:

(R)-3-((tert-butoxycarbonyl)amino)butanoic acid

(2R)-N-benzyloxycarbonyl-2-aminopropanecarboxylic acid

3-(benzoylamino)-2-methylpropanoic acid

3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylpropanoic acid

Refernces

• 1、 Zalán, Zita,Martinek, Tamás A.,Lázár, László,Fül?p, Ferenc. "Synthesis and conformational analysis of 1,3,2-diazaphosphorino[6,1-a] isoquinolines, a new ring system". . p. 9117 - 9125. Retrieved 2007/10/03.
• 2、 Mormann, Werner,Hoffmann, Silke,Hoffmann, Walter. "Synthesis and Stabilisation of Isocyanatoketenes". . p. 285 - 290. Retrieved 2007/10/02.