4-(1,1-Dimethylethyl)phenylalanine ethyl ester

Base Information

Chemical Name:4-(1,1-Dimethylethyl)phenylalanine ethyl ester
CAS No.:401573-47-5
Molecular Formula:C15H23NO2
Molecular Weight:249.353
Hs Code.:
DSSTox Substance ID:DTXSID701245886
Mol file:401573-47-5.mol

Synonyms:SCHEMBL5310295;DTXSID701245886;AKOS012258936;4-(1,1-Dimethylethyl)phenylalanine ethyl ester;401573-47-5

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Chemical Property of 4-(1,1-Dimethylethyl)phenylalanine ethyl ester

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:249.172878976
Heavy Atom Count:18
Complexity:262

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-(1,1-Dimethylethyl)phenylalanine ethyl ester

There total 2 articles about 4-(1,1-Dimethylethyl)phenylalanine ethyl ester 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: 81.0%

: 401573-45-3
ethyl 3-(4-tert-butylphenyl)-2-[(diphenylmethylene)amino]propanoate

: 401573-47-5
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; for 0.5h; pH=4;
DOI:10.1016/j.bmc.2003.12.005

Reference yield:

: 18880-00-7
1-(bromomethyl)-4-(1,1-dimethylethyl)benzene

: 401573-47-5
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / KOH / dimethylsulfoxide / 0.5 h / 20 °C

2: 81 percent / aq. HCl / tetrahydrofuran / 0.5 h / pH 4

With hydrogenchloride; potassium hydroxide; In tetrahydrofuran; dimethyl sulfoxide;
DOI:10.1016/j.bmc.2003.12.005