4-Oxo-2,4-diphenylbutanoic acid

Base Information

• Chemical Name: 4-Oxo-2,4-diphenylbutanoic acid
• CAS No.: 4370-96-1
• Molecular Formula: C16H14 O3
• Molecular Weight: 254.285
• Hs Code.: 2918300090
• NSC Number: 59920,50151
• DSSTox Substance ID: DTXSID40287292
• Nikkaji Number: J83.260J
• Mol file: 4370-96-1.mol

Synonyms:4-oxo-2,4-diphenylbutanoic acid;4370-96-1;ghl.PD_Mitscher_leg0.1057;NSC59920;NCIOpen2_002437;SCHEMBL1754732;4-oxo-2,4-diphenylbutanoicacid;2,4-Diphenyl-4-oxobutyric acid;2-Phenyl-3-benzoyl-propionsaure;DTXSID40287292;4-oxo-2,4-diphenyl-butyric acid;NSC50151;3-benzoyl-2-(phenyl)propionic acid;MFCD00088430;NSC 50151;NSC 59920;NSC-50151;NSC-59920;AKOS004906071;LS-07547;CS-0327306

Chemical Property of 4-Oxo-2,4-diphenylbutanoic acid

Chemical Property:

• Vapor Pressure: 5.07E-09mmHg at 25°C
• Boiling Point: 453.7°Cat760mmHg
• Flash Point: 242.3°C
• PSA: 54.37000
• Density: 1.21g/cm³
• LogP: 3.12780
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 254.094294304
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Oxo-2,4-diphenylbutanoic acid

There total 44 articles about 4-Oxo-2,4-diphenylbutanoic 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: 99.0%

C25H22O5 → 4-oxo-2,4-diphenylbutanoic acid (4370-96-1)

Guidance literature:

C₂₅H₂₂O₅; With sodium hydroxide; for 2h; Reflux;

With hydrogenchloride; In water; at 20 ℃; for 1h;

DOI:10.1002/cctc.202000684

Reference yield: 93.0%

4-oxo-2,4-diphenylbutanenitrile (6268-00-4) → 4-oxo-2,4-diphenylbutanoic acid (4370-96-1)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; Heating / reflux;

Reference yield: 91.0%

methyl (1S,2R)-1,2-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate → 4-oxo-2,4-diphenylbutanoic acid (4370-96-1)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; water; at 0 ℃;

DOI:10.1039/d0cc02549f

upstream raw materials:

maleic anhydride

diethyl ether

benzene

Benzoylacrylic acid

Downstream raw materials:

2-(1-methyl-[4]piperidyl)-4,6-diphenyl-2H-pyridazin-3-one

3,5,5-triphenyltetrahydrofuran-2(3H)-one

3,5-diphenyl-2,5-dihydrofuran-2-one

2,4,2',4'-tetraphenyl-2H,2'H-[2,2']bifuranyl-5,5'-dione

Refernces

• 1、 Sun, Xiao,Gu, Peiming,Qin, Jiao,Su, Yan. "Rhodium-catalysed diastereo- And enantioselective cyclopropanation of α-boryl styrenes". . p. 12379 - 12382. Retrieved 2020/10/30.
• 2、 Song, Tao,Arseniyadis, Stellios,Cossy, Janine. "Asymmetric Synthesis of α-Quaternary γ-Lactams through Palladium-Catalyzed Asymmetric Allylic Alkylation". . p. 603 - 607. Retrieved 2019/02/28.