2-(4-Chlorobenzylidene)acetoacetic acid methyl ester

Base Information

Chemical Name:2-(4-Chlorobenzylidene)acetoacetic acid methyl ester
CAS No.:14678-83-2
Molecular Formula:C₁₂H₁₁ClO₃
Molecular Weight:238.671
Hs Code.:
DSSTox Substance ID:DTXSID001202887
Nikkaji Number:J1.105.497H,J2.713.816K

Synonyms:DTXSID001202887;2-(4-Chlorobenzylidene)acetoacetic acid methyl ester;methyl 2-[(4-chlorophenyl)methylidene]-3-oxobutanoate;(E)-alpha-Acetyl-4-chlorobenzeneacrylic acid methyl ester;Methyl (2E)-2-[(4-chlorophenyl)methylene]-3-oxobutanoate;14678-83-2

Suppliers and Price of 2-(4-Chlorobenzylidene)acetoacetic acid methyl ester

Supply Marketing:

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

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Chemical Property of 2-(4-Chlorobenzylidene)acetoacetic acid methyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:238.0396719
Heavy Atom Count:16
Complexity:301

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C(=CC1=CC=C(C=C1)Cl)C(=O)OC
Isomeric SMILES:CC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C(=O)OC

Technology Process of 2-(4-Chlorobenzylidene)acetoacetic acid methyl ester

There total 3 articles about 2-(4-Chlorobenzylidene)acetoacetic acid methyl 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: 80.0%

: 104-88-1
4-chlorobenzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 14678-83-2
(E)-methyl 2-(4-chlorobenzylidene)-3-oxobutanoate

Guidance literature:: With niobium pentachloride; at 20 ℃; for 1.5h; neat (no solvent);
DOI:10.1016/j.tetlet.2009.03.015

Reference yield:

: 104-88-1
4-chlorobenzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 14678-84-3
α-Acetyl-p-chlor-cis-zimtsaeuremethylester

: 14678-83-2
(E)-methyl 2-(4-chlorobenzylidene)-3-oxobutanoate

Guidance literature:: With cross-linked polystyrene-titanium tetrachloride complex; In neat (no solvent); at 60 ℃; for 2.5h; Overall yield = 96 %;
DOI:10.1016/j.catcom.2018.11.001