1-Methyl-1-phenylethyl 3-aminopropanoate

Base Information

• Chemical Name: 1-Methyl-1-phenylethyl 3-aminopropanoate
• CAS No.: 880637-84-3
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.272
• DSSTox Substance ID: DTXSID001279573
• Mol file: 880637-84-3.mol

Synonyms:1-Methyl-1-phenylethyl 3-aminopropanoate;880637-84-3;SCHEMBL418929;ZPTFXCOWECYMPX-UHFFFAOYSA-N;DTXSID001279573;beta-Alanine, 1-methyl-1-phenylethyl ester

Chemical Property of 1-Methyl-1-phenylethyl 3-aminopropanoate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1)OC(=O)CCN

Technology Process of 1-Methyl-1-phenylethyl 3-aminopropanoate

There total 3 articles about 1-Methyl-1-phenylethyl 3-aminopropanoate 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: 94.0%

1-methyl-1-phenylethyl 3-[(9-fluorenylmethyloxycarbonyl)amino]propanoate → 1-methyl-1-phenylethyl 3-aminopropanoate (880637-84-3)

Guidance literature:

With diethylamine; In dichloromethane; for 2h;

DOI:10.1021/jo052348o

Reference yield:

1-methyl-1-phenylethyl alcohol (617-94-7) → 1-methyl-1-phenylethyl 3-aminopropanoate (880637-84-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / diethyl ether / 1.25 h / 0 - 20 °C

2: 84 percent / CH₂Cl₂

3: 94 percent / Et₂NH / CH₂Cl₂ / 2 h

With sodium hydride; diethylamine; In diethyl ether; dichloromethane;

DOI:10.1021/jo052348o

Reference yield:

1-methyl-1-phenylethyl 2,2,2-trichloroacetimidoate (147221-33-8) → 1-methyl-1-phenylethyl 3-aminopropanoate (880637-84-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / CH₂Cl₂

2: 94 percent / Et₂NH / CH₂Cl₂ / 2 h

With diethylamine; In dichloromethane;

DOI:10.1021/jo052348o

upstream raw materials:

1-methyl-1-phenylethyl alcohol

1-methyl-1-phenylethyl 2,2,2-trichloroacetimidoate