Felbinac

Base Information

• Chemical Name: Felbinac
• CAS No.: 5728-52-9
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 29163900
• European Community (EC) Number: 227-233-2
• NSC Number: 760372,16284
• UNII: 94WNJ5U8L7
• DSSTox Substance ID: DTXSID0045389
• Nikkaji Number: J105.145H
• Wikipedia: Felbinac
• Wikidata: Q3742067
• NCI Thesaurus Code: C80546
• Pharos Ligand ID: WWNLGLSV4QCM
• Metabolomics Workbench ID: 54423
• ChEMBL ID: CHEMBL413965
• Mol file: 5728-52-9.mol

Synonyms:3-biphenylylacetic acid;4-biphenylylacetic acid;biphenylacetic acid;biphenylylacetic acid;biphenylylacetic acid, 14C-labeled;felbinac;Traxam

Chemical Property of Felbinac

Chemical Property:

• Appearance/Colour: Off-white powder
• Vapor Pressure: 8.98E-07mmHg at 25°C
• Melting Point: 159-160 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 389.8 °C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 286.6 °C
• PSA: 37.30000
• Density: 1.165 g/cm³
• LogP: 2.98070
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO: soluble50mg/mL, clear, colorless to yellow
• Water Solubility.: 39.27mg/L(25 oC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

Felbinac ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xn
• Hazard Codes: T,Xn
• Statements: 23/25-36/37/38-25-36/37/38/63-20/21/22
• Safety Statements: 26-36/37/39-45-37/39-28A-26/36/3745/60-20-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
• Description: Felbinac Is the active metabolite of the non-steroidal antiinflammatory agent, fenbufen. Applied topically as a gel to joints, it is useful in the symptomatic relief of articular inflammation and pain.
• Uses: Anti-inflammatory, analgesic drug. 4-Biphenylacetic acid was used in the synthesis of gastrosparing non-steroidal antiinflammatory drug.

Technology Process of Felbinac

There total 86 articles about Felbinac 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: 100.0%

phenylboronic acid (98-80-6) + 2-(4-bromophenyl)-acetic acid (1878-68-8) → (4-biphenylyl)acetic acid (5728-52-9)

Guidance literature:

With sodium carbonate; Pd-complex on fluorous reversed silica gel; In water; at 80 ℃; for 16h;

DOI:10.1002/hlca.200490260

Reference yield: 99.0%

methyl 2-(1,1'-biphenyl-4-yl)acetate (59793-29-2) → (4-biphenylyl)acetic acid (5728-52-9)

Guidance literature:

With methanol; potassium hydroxide; for 10h; Reflux;

DOI:10.1016/j.chempr.2019.07.023

Reference yield: 97.6%

4-biphenylacetonitrile (31603-77-7) → (4-biphenylyl)acetic acid (5728-52-9)

Guidance literature:

With water; potassium hydroxide; In ethylene glycol; at 120 ℃; for 16h;

upstream raw materials:

4-phenylmandelic acid

1,1-biphenyl-4-ylacetamide

acetoxy-biphenyl-4-yl-acetic acid ethyl ester

biphenyl

Downstream raw materials:

2-Biphenyl-4-yl-3-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid

2-Biphenyl-4-yl-3-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid

2-Biphenyl-4-yl-3-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid

2-Biphenyl-4-yl-3-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid

Refernces

• 1、 Banerjee, Shibdas,Basheer, Chanbasha,Zare, Richard N.. "A Study of Heterogeneous Catalysis by Nanoparticle-Embedded Paper-Spray Ionization Mass Spectrometry". . p. 12807 - 12811. Retrieved 2016.
• 2、 Chen, Fen-Er,Chen, Tao,Cheng, Fei,Huang, Yin-Qiu,Li, Jia-Wei,Xiao, Xiao,Zhou, Chen. "Copper-Catalyzed Ullmann-Type Coupling and Decarboxylation Cascade of Arylhalides with Malonates to Access α-Aryl Esters". supporting information. . Retrieved 2022/01/04.
• 3、 Antink, Wytse Hooch,Bok, Jinsol,Cho, Sung-Pyo,Choi, Hyunwoo,Hyeon, Taeghwan,Jung, Yoon,Kim, Do Heui,Kim, Jiheon,Kim, Jongchan,Kim, Ju Hee,Kim, Sumin,Kim, Young Gyu,Ko, Wonjae,Kwak, Minjoon,Lee, Byoung-Hoon,Lee, Chan Woo,Lee, Eunwon,Lee, Kug-Seung,Lee, Seong Chan,Yim, Guk Hee,Yoo, Dongwon. "Controlling Multiple Active Sites on Pd?CeO2 for Sequential C?C Cross-coupling and Alcohol Oxidation in One Reaction System". . . Retrieved 2022/01/22.