Felbinac ethyl

Base Information

• Chemical Name: Felbinac ethyl
• CAS No.: 14062-23-8
• Molecular Formula: C16H16 O2
• Molecular Weight: 240.302
• Hs Code.: 2916399090
• UNII: 978ZPS989U
• DSSTox Substance ID: DTXSID3046160
• Nikkaji Number: J134.059J
• Wikidata: Q27271986
• ChEMBL ID: CHEMBL1886408
• Mol file: 14062-23-8.mol

Synonyms:4-biphenylylacetic acid ethyl ester;BPAA-Et;ethyl 4-biphenyl acetate;ethyl 4-biphenylacetate;felbinac ethyl ester;LM 001;LM-001

Chemical Property of Felbinac ethyl

Chemical Property:

• Vapor Pressure: 2.77E-05mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 357.2 °C at 760 mmHg
• Flash Point: 144.1 °C
• PSA: 26.30000
• Density: 1.072g/cm³
• LogP: 3.45920
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-Biphenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2

Technology Process of Felbinac ethyl

There total 31 articles about Felbinac ethyl 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%

ethanol (64-17-5) + phenylboronic acid (98-80-6) + 2-(4-bromophenyl)-acetic acid (1878-68-8) → 4-biphenylylacetic acid ethyl ester (14062-23-8)

Guidance literature:

With tetra-butylammonium acetate; Pd EnCat-30^TM; In water; at 120 ℃; for 0.166667h; microwave irradiation;

DOI:10.1002/chem.200501400

Reference yield: 99.0%

ethanol (64-17-5) + tert-butyl 4-biphenylacetylenyl ether → 4-biphenylylacetic acid ethyl ester (14062-23-8)

Guidance literature:

In methanol; at 75 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201405036

Reference yield: 89.0%

4-bromo-1,1'-biphenyl (92-66-0) + ethyl potassium malonate (6148-64-7) → 4-biphenylylacetic acid ethyl ester (14062-23-8)

Guidance literature:

With dmap; bis(η3-allyl-μ-chloropalladium(II)); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,3,5-trimethyl-benzene; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2012.01.032

upstream raw materials:

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

ethyl iodide

(4-biphenylyl)acetic acid

ethanol

Downstream raw materials:

2-Biphenyl-4-yl-3-[1-(4-methoxy-phenyl)-5-p-tolyl-1H-pyrazol-3-yl]-propionic acid ethyl ester

2-([1,1'-biphenyl]-4-yl)acetic hydrazide

2-(4-biphenylyl)propanoic acid

(4-biphenylyl)acetic acid

Refernces

• 1、 Miura, Tomoya,Murakami, Masahiro,Oku, Naoki. "Photoassisted Cross-Coupling Reaction of α-Chlorocarbonyl Compounds with Arylboronic Acids". supporting information. p. 1616 - 1619. Retrieved 2022/03/14.
• 2、 Li, Yuqiang,Yin, Guoyin. "Bathocuproine-Enabled Nickel-Catalyzed Selective Ullmann Cross-Coupling of Two sp 2-Hybridized Organohalides". supporting information. p. 1657 - 1661. Retrieved 2021/09/13.