Methyl (R)-3-phenyl-beta-alaninate HCl

Base Information

• Chemical Name: Methyl (R)-3-phenyl-beta-alaninate HCl
• CAS No.: 22838-46-6
• Molecular Formula: C₁₀H₁₄NO₂*Cl
• Molecular Weight: 215.68
• Hs Code.: 2922499990
• European Community (EC) Number: 841-988-0
• DSSTox Substance ID: DTXSID20705308
• Mol file: 22838-46-6.mol

Synonyms:22838-46-6;Methyl (R)-3-phenyl-beta-alaninate HCl;(R)-Methyl 3-amino-3-phenylpropanoate hydrochloride;methyl (3R)-3-amino-3-phenylpropanoate hydrochloride;methyl (3R)-3-amino-3-phenylpropanoate;hydrochloride;(R)-Methyl 3-amino-3-phenylpropanoate HCl;SCHEMBL2203097;DTXSID20705308;MFCD02259741;AS-40288;CS-0200110;EN300-74860;Methyl (R)-3-phenyl-beta-alaninate hydrochloride;(R)-Methyl3-amino-3-phenylpropanoatehydrochloride;A919907;Methyl (R)-3-amino-3-phenylpropanoate hydrochloride;Methyl (3R)-3-amino-3-phenylpropanoate--hydrogen chloride (1/1)

Chemical Property of Methyl (R)-3-phenyl-beta-alaninate HCl

Chemical Property:

• PSA: 52.32000
• LogP: 2.75180
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

Methyl(R)-3-Phenyl-β-alaninateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(C1=CC=CC=C1)N.Cl
• Isomeric SMILES: COC(=O)C[C@H](C1=CC=CC=C1)N.Cl

Technology Process of Methyl (R)-3-phenyl-beta-alaninate HCl

There total 6 articles about Methyl (R)-3-phenyl-beta-alaninate HCl 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-3-phenylpropionic acid (3646-50-2) → methyl 3-amino-3-phenylpropionate hydrochloride (22838-46-6,88831-43-0,127022-80-4,144494-72-4)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 20h;

DOI:10.1002/chem.202005351

Reference yield: 98.0%

3-Amino-3-phenylpropionic acid (3646-50-2) → methyl 3-amino-3-phenylpropionate hydrochloride (22838-46-6,88831-43-0,127022-80-4,144494-72-4)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

DOI:10.1002/hlca.200790057

Reference yield:

3-(2-methyl-propane-2-sulfinylamino)-3-phenyl-propionic acid methyl ester (1174169-22-2) → methyl 3-amino-3-phenylpropionate hydrochloride (22838-46-6,88831-43-0,127022-80-4,144494-72-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 0.75h;

upstream raw materials:

3-Amino-3-phenylpropionic acid

methanol

benzaldehyde

3-(2-methyl-propane-2-sulfinylamino)-3-phenyl-propionic acid methyl ester

Downstream raw materials:

3-isocyanato-3-phenyl-propionic acid methyl ester

3-Amino-N-hexyl-3-phenyl-propionamide; hydrochloride

3-(2-Ethoxycarbonyl-acetylamino)-3-phenyl-propionic acid methyl ester

3-Phenyl-3-{2-[4-((E)-styryl)-phenoxy]-acetylamino}-propionic acid methyl ester