1,3-Diethyl 2-[[(3-acetyl-2,4-difluorophenyl)amino]methylene]propanedioate

Base Information

Chemical Name:1,3-Diethyl 2-[[(3-acetyl-2,4-difluorophenyl)amino]methylene]propanedioate
CAS No.:91188-92-0
Molecular Formula:C₁₆H₁₇F₂NO₅
Molecular Weight:341.311
Hs Code.:
DSSTox Substance ID:DTXSID201144877

Synonyms:SCHEMBL10621557;DTXSID201144877;1,3-Diethyl 2-[[(3-acetyl-2,4-difluorophenyl)amino]methylene]propanedioate;91188-92-0

Suppliers and Price of 1,3-Diethyl 2-[[(3-acetyl-2,4-difluorophenyl)amino]methylene]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-acetyl-2,4-difluorophenyl)amino]methylene]propanedioate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:341.10747897
Heavy Atom Count:24
Complexity:489

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(=CNC1=C(C(=C(C=C1)F)C(=O)C)F)C(=O)OCC

Technology Process of 1,3-Diethyl 2-[[(3-acetyl-2,4-difluorophenyl)amino]methylene]propanedioate

There total 3 articles about 1,3-Diethyl 2-[[(3-acetyl-2,4-difluorophenyl)amino]methylene]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:

: 1897-52-5
2,6 difluorobenzonitrile

: 91188-92-0
<<(3-acetyl-2,4-difluorophenyl)amino>methylene>propanedioic acid, diethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / diethyl ether / 2.5 h / -78 °C

2: 66 percent / sulfuric acid, nitric acid / 0.25 h / -5 - 5 °C

3: 1) hydrogen / 1) Raney nickel / 1) methanol, 50 psi, overnight, 2) toluene, reflux, 2 h

With sulfuric acid; hydrogen; nitric acid; nickel; In diethyl ether;
DOI:10.1002/jhet.5570240604

Reference yield:

: 13670-99-0
2,6-difluoroacetophenone

: 91188-92-0
<<(3-acetyl-2,4-difluorophenyl)amino>methylene>propanedioic acid, diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / sulfuric acid, nitric acid / 0.25 h / -5 - 5 °C

2: 1) hydrogen / 1) Raney nickel / 1) methanol, 50 psi, overnight, 2) toluene, reflux, 2 h

With sulfuric acid; hydrogen; nitric acid; nickel;
DOI:10.1002/jhet.5570240604

Reference yield:

: 91188-91-9
1-(2,6-difluoro-3-nitrophenyl)ethanone

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 91188-92-0
<<(3-acetyl-2,4-difluorophenyl)amino>methylene>propanedioic acid, diethyl ester

Guidance literature:: With hydrogen; nickel; Yield given. Multistep reaction; 1) methanol, 50 psi, overnight, 2) toluene, reflux, 2 h;
DOI:10.1002/jhet.5570240604