n-Propyl 3-amino-3-phenylpropionate

Base Information

Chemical Name:n-Propyl 3-amino-3-phenylpropionate
CAS No.:622830-41-5
Molecular Formula:C12H17NO2
Molecular Weight:207.272
Hs Code.:
European Community (EC) Number:613-002-7
DSSTox Substance ID:DTXSID201303809

Synonyms:SCHEMBL1138690;Propyl beta-aminobenzenepropanoate;LNSVFWNJSKUQAL-UHFFFAOYSA-N;propyl-3-amino-3-phenylpropanoate;DTXSID201303809;n-propyl 3-amino-3-phenylpropionate;622830-41-5

Suppliers and Price of n-Propyl 3-amino-3-phenylpropionate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of n-Propyl 3-amino-3-phenylpropionate

Chemical Property:

PSA：52.32000
LogP:2.73000
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:207.125928785
Heavy Atom Count:15
Complexity:188

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCOC(=O)CC(C1=CC=CC=C1)N

Technology Process of n-Propyl 3-amino-3-phenylpropionate

There total 3 articles about n-Propyl 3-amino-3-phenylpropionate 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: 86.1%

: 71-23-8
propan-1-ol

: 3646-50-2
3-Amino-3-phenylpropionic acid

: 622830-41-5
(+/-)-β-phenylalanine propyl ester

Guidance literature:: propan-1-ol; 3-Amino-3-phenylpropionic acid; sulfuric acid; at 60 ℃; for 4h;

With sodium hydroxide; In water; pH=8.5;

Reference yield:

: 100-52-7
benzaldehyde

: 622830-41-5
(+/-)-β-phenylalanine propyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / 6 h / 78 - 82 °C / Large scale reaction

2: thionyl chloride / 40 - 50 °C / Large scale reaction

With thionyl chloride; ammonium acetate; In ethanol;
DOI:10.1021/op200084g