Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate

Base Information

Chemical Name:Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate
CAS No.:406216-42-0
Molecular Formula:C₁₂H₁₆FNO₃
Molecular Weight:241.262
Hs Code.:
DSSTox Substance ID:DTXSID501210120

Synonyms:406216-42-0;Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;SCHEMBL20154291;DTXSID501210120;Ethyl (betaS)-beta-amino-3-fluoro-4-methoxybenzenepropanoate

Suppliers and Price of Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:241.11142153
Heavy Atom Count:17
Complexity:250

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC(C1=CC(=C(C=C1)OC)F)N
Isomeric SMILES:CCOC(=O)C[C@@H](C1=CC(=C(C=C1)OC)F)N

Technology Process of Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate

There total 10 articles about Ethyl (S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate 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: 64.0%

: C₁₆H₂₄FNO₄S

: 406216-42-0
3(S)-(3-fluoro-4-methoxyphenyl)-β-alanine ethyl ester

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; ethanol; at 0 ℃; for 0.5h;

Reference yield:

: 2357-52-0
3-fluoro-4-methoxyphenyl bromide

: 406216-42-0
3(S)-(3-fluoro-4-methoxyphenyl)-β-alanine ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: triethylamine; palladium acetate; tri-o-tolylphosphine / acetonitrile / 90 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 0 °C

2.2: tetrahydrofuran; hexane / -78 °C

3.1: H₂; aq. AcOH / Pd(OH)2/C / ethanol

With n-butyllithium; hydrogen; palladium diacetate; acetic acid; triethylamine; tris-(o-tolyl)phosphine; palladium dihydroxide; In tetrahydrofuran; ethanol; hexane; acetonitrile;
DOI:10.1021/jm030306r