1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate

Base Information

Chemical Name:1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate
CAS No.:108153-76-0
Molecular Formula:C₁₆H₁₆O₄
Molecular Weight:272.301
Hs Code.:
DSSTox Substance ID:DTXSID301201357
Nikkaji Number:J3.411.066B

Synonyms:DTXSID301201357;108153-76-0;1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate

Suppliers and Price of 1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate

Supply Marketing:

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

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Chemical Property of 1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:272.10485899
Heavy Atom Count:20
Complexity:410

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(=CC#CC1=CC=CC=C1)C(=O)OCC

Technology Process of 1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate

There total 4 articles about 1,3-Diethyl 2-(3-phenyl-2-propyn-1-ylidene)propanedioate 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%

: 2579-22-8
Phenylpropargyl aldehyde

: 105-53-3
diethyl malonate

: 108153-76-0
diethyl 2-(3-phenylprop-2-yn-1-ylidene)malonate

Guidance literature:: diethyl malonate; With acetic anhydride; lithium bromide; at 80 ℃; for 2h; Inert atmosphere;

Phenylpropargyl aldehyde; at 80 ℃; for 12h; Inert atmosphere;
DOI:10.1021/ol302527z

Reference yield: 12.0%

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 4440-01-1
lithium phenylacetylide

: 108153-76-0
diethyl 2-(3-phenylprop-2-yn-1-ylidene)malonate

: 108134-40-3
diethyl (1-ethoxy-3-phenylprop-2-ynyl)malonate

Guidance literature:: In diethyl ether; hexane; at -3 ℃; for 0.25h;

Reference yield:

: 536-74-3
phenylacetylene

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 108153-76-0
diethyl 2-(3-phenylprop-2-yn-1-ylidene)malonate

Guidance literature:: With n-butyllithium; diethylaluminium chloride; Yield given. Multistep reaction; 1.) ether, hexane, -3 deg C, 0.25 h; 2.) 0.25 h; -5 deg C, 2 h; 25 deg C, 48 h.;