ethyl (2E)-4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate

Base Information

• Chemical Name: ethyl (2E)-4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate
• CAS No.: 40995-61-7
• Molecular Formula: C13H22O6
• Molecular Weight: 274.314
• Hs Code.: 2918990090
• European Community (EC) Number: 255-170-0
• NSC Number: 165282
• Mol file: 40995-61-7.mol

Synonyms:40995-61-7;SCHEMBL8801115;NSC165282;NSC-165282

Chemical Property of ethyl (2E)-4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 0.000117mmHg at 25°C
• Boiling Point: 335.8°Cat760mmHg
• Flash Point: 143.4°C
• PSA: 71.06000
• Density: 1.068g/cm³
• LogP: 1.43810
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 274.14163842
• Heavy Atom Count: 19
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=C(C(=O)C(OCC)OCC)C(=O)OCC
• Isomeric SMILES: CCO/C=C(\C(=O)C(OCC)OCC)/C(=O)OCC

Technology Process of ethyl (2E)-4,4-diethoxy-2-(ethoxymethylidene)-3-oxobutanoate

There total 2 articles about ethyl (2E)-4,4-diethoxy-2-(ethoxymethylidene)-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:

ethyl 4,4-diethoxyacetoacetate (10495-09-7) + orthoformic acid triethyl ester (122-51-0) → 2-diethoxyacetyl-3-ethoxy-acrylic acid ethyl ester (40995-61-7)

Guidance literature:

With acetic anhydride;

Reference yield:

→ 2-diethoxyacetyl-3-ethoxy-acrylic acid ethyl ester (40995-61-7)

Guidance literature:

3-Oxo-4,4-diaethoxy-butansaeureaethylester, Orthoameisensaeuretriaethylester + Ac2O;

DOI:10.1016/S0040-4020(01)93313-7

Reference yield:

2,4-difluorophenylhydrazine (40594-30-7) + 2-diethoxyacetyl-3-ethoxy-acrylic acid ethyl ester (40995-61-7) → C17H20F2N2O4 (1222076-78-9)

Guidance literature:

In ethanol; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2010.01.059

upstream raw materials:

ethyl 4,4-diethoxyacetoacetate

orthoformic acid triethyl ester

Downstream raw materials:

C₁₇H₂₀F₂N₂O₄

C₁₇H₂₀F₂N₂O₄

5-diethoxymethyl-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

C₁₇H₂₁FN₂O₄

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