4-(4-Benzylphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(4-Benzylphenyl)-4-oxobutanoic acid
• CAS No.: 63471-85-2
• Molecular Formula: C17H16 O3
• Molecular Weight: 268.312
• Hs Code.: 2918300090
• NSC Number: 87379
• DSSTox Substance ID: DTXSID70293144
• Wikidata: Q82031765
• ChEMBL ID: CHEMBL475734
• Mol file: 63471-85-2.mol

Synonyms:4-(4-Benzylphenyl)-4-oxobutanoic acid;63471-85-2;4-(4-Benzyl-phenyl)-4-oxo-butyric acid;NSC87379;NCIOpen2_005410;CHEMBL475734;SCHEMBL12918716;DTXSID70293144;NSC-87379;4-(4-Benzylphenyl)-4-oxobutanoicacid;AKOS000300214;SR-01000324956;SR-01000324956-1

Chemical Property of 4-(4-Benzylphenyl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 4.01E-10mmHg at 25°C
• Boiling Point: 482.6°Cat760mmHg
• Flash Point: 259.7°C
• PSA: 54.37000
• Density: 1.176g/cm³
• LogP: 3.32490
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Benzyl-phenyl)-4-oxo-butyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)CCC(=O)O

Technology Process of 4-(4-Benzylphenyl)-4-oxobutanoic acid

There total 2 articles about 4-(4-Benzylphenyl)-4-oxobutanoic 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: 70.0%

succinic acid anhydride (108-30-5) + Diphenylmethane (101-81-5) → 4-(diphenylmethylene)-4-oxobutanoic acid (63471-85-2)

Guidance literature:

With aluminium trichloride; In nitrobenzene; at 100 ℃; for 4h;

Reference yield:

succinic acid anhydride (108-30-5) + aluminium trichloride (7446-70-0) + Diphenylmethane (101-81-5) + nitrobenzene (98-95-3,26969-40-4) → 4-(diphenylmethylene)-4-oxobutanoic acid (63471-85-2)

Guidance literature:

DOI:10.1039/jr9390000266

Reference yield: 83.0%

4-(diphenylmethylene)-4-oxobutanoic acid (63471-85-2) → (RS)-5-(4-benzylphenyl)dihydrofuran-2(3H)-one (1094213-90-7)

Guidance literature:

4-(diphenylmethylene)-4-oxobutanoic acid; With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃;

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm801112u

upstream raw materials:

succinic acid anhydride

Diphenylmethane

aluminium trichloride

nitrobenzene

Downstream raw materials:

4-(diphenylmethylene)-n-butanoic acid

4-{4-[4-(4-{4-[4-(3-Carboxy-propionyl)-benzyl]-benzoyl}-benzoyl)-benzyl]-phenyl}-4-oxo-butyric acid

3-(4-Benzoylbenzoyl)propionsaeure

3-Brom-3-(4-Benzylbenzoyl)propionsaeure

Refernces

• 1、 Partap, Sangh,Yar, Mohammad Shahar,Hassan, Md. Zaheen,Akhtar, Md. Jawaid,Siddiqui, Anees A.. "Design, Synthesis, and Pharmacological Screening of Pyridazinone Hybrids as Anticonvulsant Agents". . . Retrieved 2017/10/06.
• 2、 H?g, Signe,Wellendorph, Petrine,Nielsen, Birgitte,Frydenvang, Karla,Dahl, Ivar F.,Br?uner-Osborne, Hans,Brehm, Lotte,Fr?lund, Bente,Clausen, Rasmus P.. "Novel high-affinity and selective biaromatic 4-substituted γ-hydroxybutyric acid (GHB) analogues as GHB ligands: Design, synthesis, and binding studies". experimental part. p. 8088 - 8095. Retrieved 2009/12/07.