3-Benzoyl-2-benzylidenepropionic acid

Base Information

• Chemical Name: 3-Benzoyl-2-benzylidenepropionic acid
• CAS No.: 57999-77-6
• Molecular Formula: C₁₇H₁₄O₃
• Molecular Weight: 266.296
• European Community (EC) Number: 663-106-1
• Wikidata: Q76390362
• Mol file: 57999-77-6.mol

Synonyms:AKOS024341061;3-BENZOYL-2-BENZYLIDENEPROPIONIC ACID

Chemical Property of 3-Benzoyl-2-benzylidenepropionic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 266.094294304
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C(CC(=O)C2=CC=CC=C2)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C(/CC(=O)C2=CC=CC=C2)\C(=O)O

Technology Process of 3-Benzoyl-2-benzylidenepropionic acid

There total 15 articles about 3-Benzoyl-2-benzylidenepropionic 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:

3-benzylidene-5-phenylfuran-2(3H)-one (4361-96-0) → α-phenacylcinnamic acid (57999-77-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01511a029

Reference yield:

2-benzoyl-3-phenyl-cyclopropane-1,1-dicarboxylic acid dimethyl ester (7596-81-8) → α-phenacylcinnamic acid (57999-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous alcoholic KOH-solution

2: 170 - 185 °C

With potassium hydroxide;

Reference yield:

2-benzoyl-3-phenyl-cyclopropane-1,1-dicarboxylic acid monomethyl ester (40616-05-5) → α-phenacylcinnamic acid (57999-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous alcoholic KOH-solution

2: 170 - 185 °C

With potassium hydroxide;

upstream raw materials:

2-benzyl-2-hydroxy-4-oxo-4-phenyl-butyric acid

2-benzoyl-3-phenyl-cyclopropane-1,1-dicarboxylic acid

3-benzylidene-5-phenylfuran-2(3H)-one

hydrogenchloride

Downstream raw materials:

4-phenylnaphtho[2,3-c]firan-1(3H)-one

3-benzylidene-5-phenylfuran-2(3H)-one

2-benzyl-4-phenylbutanoic acid

gamma-oxo-α-(phenylmethyl)benzenebutanoic acid