Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate

Base Information

Chemical Name:Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate
CAS No.:78584-31-3
Molecular Formula:C₂₇H₂₂NO₃P
Molecular Weight:439.45
Hs Code.:
DSSTox Substance ID:DTXSID101172326

Synonyms:DTXSID101172326;Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate;78584-31-3

Suppliers and Price of Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate

Supply Marketing:

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

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Chemical Property of Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:439.13373056
Heavy Atom Count:32
Complexity:647

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4

Technology Process of Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate

There total 2 articles about Methyl beta-oxo-alpha-(triphenylphosphoranylidene)-3-pyridinepropanoate 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: 80.0%

: 10400-19-8
3-pyridinecarbonyl chloride

: 21204-67-1,2605-67-6
methyl (triphenylphosphoranylidene)acetate

: 78584-31-3
3-Oxo-3-pyridin-3-yl-2-(triphenyl-λ⁵-phosphanylidene)-propionic acid methyl ester

Guidance literature:: DOI:10.1002/jhet.5570180316

Reference yield:

: 59-67-6
nicotinic acid

: 78584-31-3
3-Oxo-3-pyridin-3-yl-2-(triphenyl-λ⁵-phosphanylidene)-propionic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) hexamethyldisilazane; 2.) chlorure de thionyle / 1.) reflux; 2.) temperature ambiante

2: 80 percent

With chlorure de thionyle; 1,1,1,3,3,3-hexamethyl-disilazane;
DOI:10.1002/jhet.5570180316