4-Methoxy-4-oxo-2-phenylbutanoic acid

Base Information

• Chemical Name: 4-Methoxy-4-oxo-2-phenylbutanoic acid
• CAS No.: 91143-75-8
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.214
• European Community (EC) Number: 832-106-5
• Nikkaji Number: J1.637.307I
• Mol file: 91143-75-8.mol

Synonyms:4-methoxy-4-oxo-2-phenylbutanoic acid;91143-75-8;2-Phenyl-succinic acid 4-methyl ester;SCHEMBL1561404;SB39833;CS-0245192;EN300-301006;A905146

Chemical Property of 4-Methoxy-4-oxo-2-phenylbutanoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Methoxy-4-oxo-2-phenylbutanoic acid

There total 4 articles about 4-Methoxy-4-oxo-2-phenylbutanoic acid 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: 53.0%

methanol (67-56-1) + 2-phenylsuccinic anhydride (1131-15-3,112489-85-7) → 4-methoxy-4-oxo-2-phenylbutanoic acid (91143-75-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis(mesityl)imidazolium chloride; In toluene; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.151131

Reference yield:

2-phenyl-succinamic acid methyl ester → 4-methoxy-4-oxo-2-phenylbutanoic acid (91143-75-8)

Guidance literature:

With sulfuric acid; sodium nitrite; Verduennen mit Eiswasser;

Reference yield:

3-phenyl-succinamic acid methyl ester (859961-47-0) + cis-nitrous acid (7782-77-6) → 4-methoxy-4-oxo-2-phenylbutanoic acid (91143-75-8)

Guidance literature:

upstream raw materials:

3-phenyl-succinamic acid methyl ester

cis-nitrous acid

methanol

2-phenylsuccinic anhydride

Downstream raw materials:

methyl 4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoate

4-((4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)amino)-4-oxo-3-phenylbutanoic acid

Methyl cinnamate

2-(4-Nitro-phenyl)-bernsteinsaeure-monomethylester-⁽⁴⁾