Benzenebutanoic acid, 3-broMo-.alpha.,.gaMMa.-dioxo-, ethyl este

Base Information

• Chemical Name: Benzenebutanoic acid, 3-broMo-.alpha.,.gaMMa.-dioxo-, ethyl este
• CAS No.: 473537-92-7
• Molecular Formula: C12H11BrO4
• Molecular Weight: 299.121
• Mol file: 473537-92-7.mol

Synonyms:Ethyl 3-bromo-a,g-dioxo-benzenebutanoate;ETHYL 4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOATE;BENZENEBUTANOIC ACID, 3-BROMO-.ALPHA.,.GAMMA.-DIOXO-, ETHYL ESTER;

Chemical Property of Benzenebutanoic acid, 3-broMo-.alpha.,.gaMMa.-dioxo-, ethyl este

Chemical Property:

• Boiling Point: 406.5±30.0 °C(Predicted)
• PKA: 6.09±0.46(Predicted)
• PSA: 60.44000
• Density: 1.467±0.06 g/cm3(Predicted)
• LogP: 2.15410

Purity/Quality:

97% ^*data from raw suppliers

ETHYL-4-(3-BROMOPHENYL)-2,4-DIOXOBUTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenebutanoic acid, 3-broMo-.alpha.,.gaMMa.-dioxo-, ethyl este

There total 1 articles about Benzenebutanoic acid, 3-broMo-.alpha.,.gaMMa.-dioxo-, ethyl este 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: 100.0%

1-(3-Bromophenyl)ethanone (2142-63-4) + oxalic acid diethyl ester (95-92-1) → ethyl 4-(3-bromophenyl)-2,4-dioxobutanoate (473537-92-7)

Guidance literature:

With sodium; In ethanol; at 0 ℃;

1-(3-Bromophenyl)ethanone; In ethanol; at 10 ℃; for 2h;

oxalic acid diethyl ester; In ethanol; at 20 ℃; for 1.5h;

Reference yield: 83.0%

ethyl 4-(3-bromophenyl)-2,4-dioxobutanoate (473537-92-7) → ethyl 5-(3-bromophenyl)isoxazole-3-carboxylate (473538-02-2)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; at 80 ℃; for 1h;

DOI:10.1007/s11030-021-10208-4

Reference yield: 21.0%

ethyl 4-(3-bromophenyl)-2,4-dioxobutanoate (473537-92-7) + methylhydrazine (60-34-4) → 5-(3-bromo-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester (473548-05-9) + 5-(3-bromo-phenyl)-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester (784142-98-9)

Guidance literature:

In ethanol; at 60 - 90 ℃; for 2.5h;

upstream raw materials:

1-(3-Bromophenyl)ethanone

oxalic acid diethyl ester

Downstream raw materials:

5-(3-bromo-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

5-(3-bromo-phenyl)-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester

(RS)-3-oxo-3-{3-[3-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-5-yl]-phenyl}-propionic acid tert.-butyl ester

(RS)-3-{3-[2-methyl-5-(tetrahydro-pyran-2-yloxymethyl)-2H-pyrazol-3-yl]-phenyl}-3-oxo-propionic acid tert.-butyl ester

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