Methyl beta-methyl-alpha,gamma-dioxobenzenebutanoate

Base Information

• Chemical Name: Methyl beta-methyl-alpha,gamma-dioxobenzenebutanoate
• CAS No.: 66751-99-3
• Molecular Formula: C₁₂H₁₂O₄
• Molecular Weight: 220.225
• DSSTox Substance ID: DTXSID801271935

Synonyms:Methyl beta-methyl-alpha,gamma-dioxobenzenebutanoate;SCHEMBL10957360;DTXSID801271935;66751-99-3;methyl 3-methyl-4-phenyl-2,4-dioxobutanoate

Chemical Property of Methyl beta-methyl-alpha,gamma-dioxobenzenebutanoate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)C(=O)C(=O)OC

Technology Process of Methyl beta-methyl-alpha,gamma-dioxobenzenebutanoate

There total 1 articles about Methyl beta-methyl-alpha,gamma-dioxobenzenebutanoate 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: 51.0%

methanol (67-56-1) + 4-Methyl-5-phenyl-2,3-dihydrofuran-2,3-dione (55991-71-4) → methyl 3-methyl-2,4-dioxo-4-phenylbutanoate (66751-99-3)

Guidance literature:

Heating;

DOI:10.1023/A:1022508622558

Reference yield: 17.0%

methyl 3-methyl-2,4-dioxo-4-phenylbutanoate (66751-99-3) + diazodiphenylmethane (908093-98-1) → (Z)-2-Benzhydryloxy-3-methyl-4-oxo-4-phenyl-but-2-enoic acid methyl ester (123716-27-8)

Guidance literature:

In benzene; Heating;

Reference yield:

methyl 1,4-dimethyl-5-phenylpyrazole-3-carboxylate (93618-59-8) + methyl 3-methyl-2,4-dioxo-4-phenylbutanoate (66751-99-3) + 1,4-Dimethyl-3-phenylpyrazol-5-carbonsaeure-methylester (90145-25-8) + methylhydrazine (60-34-4) → 1,4-dimethyl-3-phenyl-1H-pyrazole-5-carboxylic acid

Guidance literature:

In methanol; ethanol;

upstream raw materials:

methanol

4-Methyl-5-phenyl-2,3-dihydrofuran-2,3-dione

Downstream raw materials:

(Z)-2-Benzhydryloxy-3-methyl-4-oxo-4-phenyl-but-2-enoic acid methyl ester

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