Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester

Base Information

Chemical Name:Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester
CAS No.:53118-62-0
Molecular Formula:C13H19NO2
Molecular Weight:221.299
Hs Code.:
DSSTox Substance ID:DTXSID80474124
Nikkaji Number:J647.456J
Mol file:53118-62-0.mol

Synonyms:53118-62-0;methyl 3-[(1-phenylethyl)amino]butanoate;64838-60-4;Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester, [R-(R*,S*)]- (9CI);Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester;SCHEMBL4851208;DTXSID80474124;MFCD12131707;AKOS009568796;3-(1-phenyl-ethylamino)-butyric acid methyl ester;F1911-3347

Suppliers and Price of Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester

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

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Chemical Property of Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:221.141578849
Heavy Atom Count:16
Complexity:212

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC(=O)OC)NC(C)C1=CC=CC=C1

Technology Process of Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl ester

There total 6 articles about Butanoic acid, 3-[(1-phenylethyl)amino]-, methyl 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: 61.0%

: methyl (E)-3-((1-phenylethyl)amino)but-2-enoate

: 53118-62-0,1156032-60-8
methyl-3-[(1-phenylethyl)amino]-2-butanoate

Guidance literature:: With dibutyl tin diiodide; dibutylstannane; magnesium bromide; In tetrahydrofuran; at 20 ℃; for 5h;
DOI:10.1021/jo016081e

Reference yield:

: 623-43-8
crotonic acid methyl ester

: 618-36-0
rac-methylbenzylamine

: 53118-62-0,64838-59-1,64838-60-4,103123-50-8,103123-51-9,1156032-60-8
(R)-3-((S)-1-Phenyl-ethylamino)-butyric acid methyl ester

: 53118-62-0,64838-59-1,64838-60-4,103123-50-8,103123-51-9,1156032-60-8
(S)-3-((S)-1-Phenyl-ethylamino)-butyric acid methyl ester

Guidance literature:: In dichloromethane; at 20 ℃; for 120h; under 10500800 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/ja00285a051

Reference yield:

: 623-43-8
crotonic acid methyl ester

: 618-36-0
rac-methylbenzylamine

: 53118-62-0,64838-59-1,64838-60-4,103123-50-8,103123-51-9,1156032-60-8
(R)-3-((S)-1-Phenyl-ethylamino)-butyric acid methyl ester

: 53118-62-0,64838-59-1,64838-60-4,103123-50-8,103123-51-9,1156032-60-8
(S)-3-((S)-1-Phenyl-ethylamino)-butyric acid methyl ester

Guidance literature:: In dichloromethane; at 20 ℃; for 120h; under 10500800 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/ja00285a051