Methyl 3-amino-3-phenylpropanoate hydrochloride

Base Information

• Chemical Name: Methyl 3-amino-3-phenylpropanoate hydrochloride
• CAS No.: 88831-43-0
• Molecular Formula: C₁₀H₁₄NO₂*Cl
• Molecular Weight: 215.68
• Hs Code.: 2922499990
• European Community (EC) Number: 801-507-7
• DSSTox Substance ID: DTXSID00385405
• Mol file: 88831-43-0.mol

Synonyms:88831-43-0;methyl 3-amino-3-phenylpropanoate hydrochloride;methyl 3-amino-3-phenylpropanoate;hydrochloride;Methyl 3-phenyl-3-aMino-propionate hydrochloride;3-Amino-3-phenyl-propionic acid methyl ester, HCl;Methyl 3-amino-3-phenylpropanoate HCl;3-amino-3-phenyl-propionic acid methyl ester hydrochloride;methyl 3-amino-3-phenylpropionate hydrochloride;MFCD11052922;SCHEMBL476789;DTXSID00385405;GYKTZBZYSKZYDB-UHFFFAOYSA-N;3-AMINO-3-PHENYL-PROPIONICACIDMETHYLESTERHYDROCHLORIDE;MFCD00563398;AKOS005189151;SB47072;AS-11232;SY102572;CS-0150721;FT-0690132;FT-0771031;FT-0771460;methyl3-amino-3-phenylpropanoatehydrochloride;EN300-21852;A24294;methyl 3-amino-3-phenylpropanoate,hydrochloride;Y11662;Methyl (S)-3-Amino-3-phenylpropanoate Hydrochloride;(RS)-alpha-methoxycarbonylmethylbenzylamine hydrochloride;3-amino-3-phenylpropionic acid methyl ester hydrochloride;Z139720848

Chemical Property of Methyl 3-amino-3-phenylpropanoate hydrochloride

Chemical Property:

• Melting Point: 145-147℃
• Boiling Point: 283 °C at 760 mmHg
• Flash Point: 141.7 °C
• PSA: 52.32000
• LogP: 2.75180
• Storage Temp.: Inert atmosphere,Room Temperature
• 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:

99.5% ^*data from raw suppliers

3-Amino-3-phenyl-propionicacidmethylesterhydrochloride ^*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
• Uses: 3-Amino-3-phenyl-propionic acid methyl ester, HCl

Technology Process of Methyl 3-amino-3-phenylpropanoate hydrochloride

There total 6 articles about Methyl 3-amino-3-phenylpropanoate 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-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:

6-phenyl-5,6-dihydro-2,4(1H,3H)-pyridinedione

(4S,6S)-4-Hydroxy-6-phenyl-piperidin-2-one

3-methoxycarbonyl-6-phenylpiperidine-2,4-dione

3-(1-oxo-1,3-dihydro-isoindole-2-yl)-3-phenyl-propionic acid methyl ester

Refernces

• 1、 Kim, Mahn-Joo,Choi, Eunjeong,Kim, Yunwoong,Ahn, Yangsoo,Park, Jaiwook. "Highly enantioselective enzymatic resolution of aromatic β-amino acid amides with Pd-catalyzed racemization". . p. 1449 - 1452. Retrieved 2013/12/04.
• 2、 -. "BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES". Page/Page column 43. . Retrieved 2009/09/05.