Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester

Base Information

Chemical Name:Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester
CAS No.:62984-12-7
Molecular Formula:C16H20O5
Molecular Weight:292.332
Hs Code.:
DSSTox Substance ID:DTXSID00451038
Nikkaji Number:J1.920.294A
Wikidata:Q82270897

Synonyms:62984-12-7;Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester;SCHEMBL11713675;DTXSID00451038;PGTBZYZSSYPXIS-UHFFFAOYSA-N;AKOS010952179;(3-Phenylpropanoyl)malonic acid diethyl ester;(3-phenylpropionyl)malonic acid, diethyl ester

Suppliers and Price of Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester

Supply Marketing:

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

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Chemical Property of Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:292.13107373
Heavy Atom Count:21
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)CCC1=CC=CC=C1)C(=O)OCC

Technology Process of Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl ester

There total 4 articles about Propanedioic acid, (1-oxo-3-phenylpropyl)-, diethyl 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: 84.0%

: 645-45-4
hydrocinnamic acid chloride

: 105-53-3
diethyl malonate

: 62984-12-7
(3-phenylpropionyl)-malonic acid,diethyl ester

Guidance literature:: diethyl malonate; With ethanol; magnesium; In tetrachloromethane; toluene; for 1h; Heating;

hydrocinnamic acid chloride; In tetrachloromethane; toluene; at 20 ℃; for 1h;
DOI:10.1081/SCC-120015395

Reference yield: 80.0%

: 35227-78-2
diethyl (ethoxymagnesio)malonate

: 645-45-4
hydrocinnamic acid chloride

: 62984-12-7
(3-phenylpropionyl)-malonic acid,diethyl ester

Guidance literature:: DOI:10.1021/jo00135a017

Reference yield:

: 570-08-1
diethyl acetylmalonate

: 62984-12-7
(3-phenylpropionyl)-malonic acid,diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: 24 percent / NH₂NH₂ / ethanol / 3 h / Heating

2.1: Mg; EtOH / CCl₄; toluene / 1 h / Heating

2.2: 84 percent / CCl₄; toluene / 1 h / 20 °C

With ethanol; magnesium; hydrazine; In tetrachloromethane; ethanol; toluene;
DOI:10.1081/SCC-120015395