BENZOYLMALONIC ACID DIETHYL ESTER

Base Information

• Chemical Name: BENZOYLMALONIC ACID DIETHYL ESTER
• CAS No.: 1087-97-4
• Molecular Formula: C14H16 O5
• Molecular Weight: 264.278
• Hs Code.: 2918300090
• Mol file: 1087-97-4.mol

Synonyms:Malonicacid, benzoyl-, diethyl ester (6CI,7CI,8CI); Propanedioic acid, benzoyl-,diethyl ester (9CI); Benzoylmalonic acid diethyl ester; Diethyl benzoylmalonate

Chemical Property of BENZOYLMALONIC ACID DIETHYL ESTER

Chemical Property:

• Melting Point: 166oC
• Refractive Index: 1.5070-1.5100
• Boiling Point: 331°Cat760mmHg
• PKA: 7.00±0.59(Predicted)
• Flash Point: 142.3°C
• PSA: 69.67000
• Density: 1.162g/cm³
• LogP: 1.61170

Purity/Quality:

97% ^*data from raw suppliers

Diethyl2-Benzoylmalonate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZOYLMALONIC ACID DIETHYL ESTER

There total 29 articles about BENZOYLMALONIC ACID DIETHYL 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: 97.0%

benzoyl chloride (98-88-4) + diethyl malonate (105-53-3) → diethyl benzoylmalonate (1087-97-4)

Guidance literature:

diethyl malonate; With magnesium; In tetrachloromethane; ethanol; toluene; at 20 ℃; for 1.5h; Inert atmosphere; Reflux;

benzoyl chloride; In tetrachloromethane; ethanol; toluene; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/ejoc.201600107

Reference yield: 93.0%

C16H30N2O3P*CHF3O3S + sodium diethylmalonate (996-82-7) + diphenylzinc (1078-58-6) → diethyl benzoylmalonate (1087-97-4)

Guidance literature:

C₁₆H₃₀N₂O₃P*CHF₃O₃S; diphenylzinc; In dichloromethane; at 40 ℃; for 2h;

sodium diethylmalonate; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/anie.201609710

Reference yield: 87.0%

carbon monoxide (201230-82-2) + diethyl malonate (105-53-3) + phenylboronic acid (98-80-6) → diethyl benzoylmalonate (1087-97-4)

Guidance literature:

diethyl malonate; With lithium tert-butoxide; In toluene; at 20 ℃; for 1h; Autoclave;

carbon monoxide; phenylboronic acid; With palladium(II) trifluoroacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; silver(l) oxide; In toluene; at 20 - 80 ℃; for 12h; under 3800.26 Torr; Reagent/catalyst; Solvent; Concentration; Catalytic behavior; Autoclave;

DOI:10.1039/c4ob00568f

upstream raw materials:

diethyl ether

sodium 3-ethoxy-3-oxo-1-phenylprop-1-en-1-olate

chloroformic acid ethyl ester

sodium diethylmalonate

Downstream raw materials:

2-methyl-3-oxo-1,5-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid ethyl ester

(methoxy-phenyl-methylene)-malonic acid diethyl ester

2-Ethylmercapto-2-phenylethen-1,1-dicarbonsaeure

3-oxo-3-phenylpropionic acid