3-(4-Methoxyphenyl)-3-[(phenylacetyl)amino]propanoic acid

Base Information

Chemical Name:3-(4-Methoxyphenyl)-3-[(phenylacetyl)amino]propanoic acid
CAS No.:171002-20-3
Molecular Formula:C₁₈H₁₉NO₄
Molecular Weight:313.353
Hs Code.:
DSSTox Substance ID:DTXSID201200944
ChEMBL ID:CHEMBL1518003

Synonyms:3-(4-methoxyphenyl)-3-[(phenylacetyl)amino]propanoic acid;MLS000085859;TimTec1_002194;CHEMBL1518003;GYEZAZIFHRSDBJ-UHFFFAOYSA-N;3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid;DTXSID201200944;HMS1540D16;HMS2315H03;STK679786;AKOS001738862;SMR000021188;SR-01000118138;SR-01000118138-1;BRD-A29646317-001-01-0;4-Methoxy-beta-[(2-phenylacetyl)amino]benzenepropanoic acid;Propionic acid, 3-(4-methoxyphenyl)-3-phenylacetylamino-;171002-20-3

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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 3-(4-Methoxyphenyl)-3-[(phenylacetyl)amino]propanoic acid

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:313.13140809
Heavy Atom Count:23
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2

Technology Process of 3-(4-Methoxyphenyl)-3-[(phenylacetyl)amino]propanoic acid

There total 2 articles about 3-(4-Methoxyphenyl)-3-[(phenylacetyl)amino]propanoic acid 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: 74.0%

: 5678-45-5
3-amino-3-(4-methoxyphenyl)propionic acid

: 103-80-0
phenylacetyl chloride

: 171002-20-3
β-(N-phenylacetylamino)-β-(4-methoxyphenyl)propionic acid

Guidance literature:: With triethylamine; In water; acetone; at -5 - 20 ℃; for 5.5h;
DOI:10.1080/10826068.2012.719847

Reference yield:

: 123-11-5
4-methoxy-benzaldehyde

: 171002-20-3
β-(N-phenylacetylamino)-β-(4-methoxyphenyl)propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / 6 h / Reflux

2: triethylamine / acetone; water / 5.5 h / -5 - 20 °C

With ammonium acetate; triethylamine; In ethanol; water; acetone;
DOI:10.1080/10826068.2012.719847

Reference yield: 61.0%

: 171002-20-3
β-(N-phenylacetylamino)-β-(4-methoxyphenyl)propionic acid

: 131690-57-8
(R)-β-amino-β-(4-methoxyphenyl)propionic acid

Guidance literature:: With potassium hydroxide; Ambient temperature; penicillin acylase (EC 3.5.1.11), pH 7.5;
DOI:10.1016/0957-4166(95)00204-3