Ethyl 3-amino-3-(4-methylphenyl)propanoate hydrochloride

Base Information

• Chemical Name: Ethyl 3-amino-3-(4-methylphenyl)propanoate hydrochloride
• CAS No.: 502842-12-8
• Molecular Formula: C₁₂H₁₇NO₂*ClH
• Molecular Weight: 243.733
• Mol file: 502842-12-8.mol

Synonyms:502842-12-8;Ethyl 3-amino-3-(4-methylphenyl)propanoate hydrochloride;Ethyl 3-amino-3-(p-tolyl)propanoate HCl;Ethyl 3-amino-3-(p-tolyl)propanoate hydrochloride;(S)-Ethyl 3-amino-3-(p-tolyl)propanoate hydrochloride;CVA84212;MFCD02663261;AKOS001475885;MCULE-6565842428;BS-45457;CS-0256623;Ethyl3-amino-3-(p-tolyl)propanoatehydrochloride;F77622;EN300-6502139;SR-01000529639;SR-01000529639-1;ethyl 3-amino-3-(4-methylphenyl)propanoate;hydrochloride

Chemical Property of Ethyl 3-amino-3-(4-methylphenyl)propanoate hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.1026065
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C1=CC=C(C=C1)C)N.Cl

Technology Process of Ethyl 3-amino-3-(4-methylphenyl)propanoate hydrochloride

There total 15 articles about Ethyl 3-amino-3-(4-methylphenyl)propanoate 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: 80.0%

ethanol (64-17-5) + 3-amino-3-(p-tolyl)propionic acid (68208-18-4,479065-00-4) → 3-Amino-3-p-tolyl-propionic acid ethyl ester; hydrochloride (502842-12-8)

Guidance literature:

With thionyl chloride; at -15 ℃; Reflux; Inert atmosphere;

DOI:10.1021/ml5002079

Reference yield: 54.0%

ethanol (64-17-5) + (R)-1-hydroxymethyl-4-(p-tolyl)-2-azetidinone (402828-09-5) → 3-amino-3-p-tolyl-propionic acid ethyl ester; hydrochloride (502842-12-8)

Guidance literature:

With hydrogenchloride; for 5h; Heating;

DOI:10.1016/S0957-4166(01)00388-3

Reference yield:

4-methyl-benzaldehyde (104-87-0) → 3-Amino-3-p-tolyl-propionic acid ethyl ester; hydrochloride (502842-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / Reflux

2: thionyl chloride / -15 °C / Reflux; Inert atmosphere

With thionyl chloride; ammonium acetate; In ethanol;

DOI:10.1021/ml5002079

upstream raw materials:

ethanol

3-amino-3-(p-tolyl)propionic acid

4-methyl-benzaldehyde

(R)-1-hydroxymethyl-4-(p-tolyl)-2-azetidinone

Refernces

• 1、 Lebedev,Lebedeva,Sheludyakov,Ovcharuk,Kovaleva,Ustinova. "Organosilicon synthesis of isocyanates: III. Synthesis of aliphatic, carbocyclic, aromatic, and alkylaromatic isocyanatocatboxylic acid esters". . p. 1069 - 1080. Retrieved 2008/02/05.