Tert-butyl 2-amino-3-phenylpropanoate

Base Information

• Chemical Name: Tert-butyl 2-amino-3-phenylpropanoate
• CAS No.: 16367-71-8
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• European Community (EC) Number: 858-678-6
• DSSTox Substance ID: DTXSID301347222
• Nikkaji Number: J1.616.896C
• Mol file: 16367-71-8.mol

Synonyms:tert-butyl 2-amino-3-phenylpropanoate;16367-71-8;l-phe t-butyl ester;SCHEMBL1221379;DTXSID301347222;D,L-phenylalanine tert-butyl ester;MFCD12762205;tert-butyl2-amino-3-phenylpropanoate;AKOS009156747;Phenylalanine, 1,1-dimethylethyl ester;AM20030026;FT-0660935;EN300-113093;2-Amino-3-phenylpropanoic acid tert-butyl ester;2-Amino-3-phenyl-propionic acid tert-butyl ester;Z600614494

Chemical Property of Tert-butyl 2-amino-3-phenylpropanoate

Chemical Property:

• Boiling Point: 94-96 °C(Press: 0.35 Torr)
• PSA: 52.32000
• Density: 1.042±0.06 g/cm3(Predicted)
• LogP: 2.59840
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl2-Amino-3-phenylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N

Technology Process of Tert-butyl 2-amino-3-phenylpropanoate

There total 37 articles about Tert-butyl 2-amino-3-phenylpropanoate 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: 98.0%

tert-butyl N-(benzyloxycarbonyl)-D-phenylalaninate (112924-08-0) → D-phenylalanine tert-butyl ester (3081-28-5,6404-30-4,16367-71-8,16874-17-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 3h; Ambient temperature;

DOI:10.1021/jm950471+

Reference yield: 95.0%

tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (16881-34-8,97370-78-0) → t-butyl (RS)-phenylalaninate (16367-71-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 14h;

DOI:10.1002/ejoc.201801448

Reference yield: 95.0%

acetic acid tert-butyl ester (540-88-5) + D-phenylalanine methyl ester (21685-51-8) → t-butyl (RS)-phenylalaninate (16367-71-8)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo971138b

upstream raw materials:

acetic acid tert-butyl ester

Phenylalanine

2-Azido-3-phenyl-propionsaeure-tert-butylester

tert-butyl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate

Downstream raw materials:

(S)-N-benzoylphenylalanine tert-butyl ester

N-Formylphenylalanin-tert-butylester

Pyoc-Ile-Phe-OtBu

2-[(S)-2-Amino-3-(2-thiophen-2-yl-thiazol-4-yl)-propionylamino]-3-phenyl-propionic acid tert-butyl ester