ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate

Base Information

• Chemical Name: ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
• CAS No.: 15725-22-1
• Molecular Formula: C13H13 Cl O3
• Molecular Weight: 252.697
• NSC Number: 168535
• DSSTox Substance ID: DTXSID60422027
• Wikidata: Q82233792
• Mol file: 15725-22-1.mol

Synonyms:NSC168535;15725-22-1;ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate;Ethyl 2-(2-chlorobenzylidene)-3-oxobutanoate;starbld0004079;SCHEMBL4778791;DTXSID60422027;NSC-168535

Chemical Property of ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 2.15E-05mmHg at 25°C
• Boiling Point: 360.9°Cat760mmHg
• Flash Point: 144.2°C
• PSA: 43.37000
• Density: 1.21g/cm³
• LogP: 2.87550
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 252.0553220
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)C
• Isomeric SMILES: CCOC(=O)/C(=C\C1=CC=CC=C1Cl)/C(=O)C

Technology Process of ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate

There total 6 articles about ethyl (2Z)-2-[(2-chlorophenyl)methylidene]-3-oxobutanoate 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: 97.9%

piperidine (110-89-4) + ethyl acetoacetate (141-97-9) + 2-chloro-benzaldehyde (89-98-5) → ethyl 2-(2-chlorophenyl)methyleneacetoacetate (15725-22-1)

Guidance literature:

With acetic acid; In water; ethyl acetate; benzene;

Reference yield: 91.04%

ethyl acetoacetate (141-97-9) + 2-chloro-benzaldehyde (89-98-5) → 2-(2-chlorobenzylidene)acetoacetic acid ethyl ester (15725-22-1)

Guidance literature:

With piperidine; acetic acid; In hexane; water; for 3h; Reflux;

Reference yield:

piperidine (110-89-4) + 2-chloro-benzaldehyde (89-98-5) → ethyl 2-(2-chlorophenyl)methyleneacetoacetate (15725-22-1)

Guidance literature:

In ethyl acetate; benzene;

upstream raw materials:

ethyl acetoacetate

2-chloro-benzaldehyde

piperidine

Downstream raw materials:

ethyl neopentyl 2,6-dimethyl-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

ethyl trimethylsilyl-methyl 2,6-dimethyl-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

4-(2-Chloro-phenyl)-3-cyclopentyl-1,6-dimethyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester; hydrochloride

1-Benzyl-4-(2-chlorophenyl)-3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridine

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