(3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid

Base Information

• Chemical Name: (3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid
• CAS No.: 909709-42-8
• Molecular Formula: C15H16 B F O2
• Molecular Weight: 258.1
• Hs Code.: 2931900090
• European Community (EC) Number: 618-687-6
• DSSTox Substance ID: DTXSID90695025
• Nikkaji Number: J2.538.195E
• Wikidata: Q82624006
• Mol file: 909709-42-8.mol

Synonyms:909709-42-8;(3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid;4'-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID;4''-PROPYL-3-FLUOROBIPHENYL-4-BORONIC ACID;3-Fluoro-4'-propyl-4-biphenylboronic Acid;4'-Propyl-3-fluoro-biphenyl-4-boronic acid;[2-fluoro-4-(4-propylphenyl)phenyl]boronic acid;MFCD10687198;Boronic acid, (3-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-;4'-Propyl-3-fluoro-4-biphenyl boronic acid;{3-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}boronic acid;C15H16BFO2;3-Fluoro-4'-Propylbiphenyl-4-Boronic Acid;4'-Propyl-3-fluoro-4-biphenyl boronic acid;SCHEMBL1533780;(3-Fluoro-4'-propyl[1,1'-biphenyl]-4-yl)boronic acid;(3-Fluoro-4'-propyl[1,1'-biphenyl]-4-yl) boronic acid;DTXSID90695025;XZGCBSYWWZAXRC-UHFFFAOYSA-N;AMY13265;AKOS016003079;GS-6335;SB66948;SY055287;4'-propyl-3-fluoro-4-biphenylboronic acid;3-fluoro-4'-propylbiphenyl-4-ylboronic acid;CS-0152418;F0942;FT-0731459;2-fluoro-4-(4-propylphenyl)phenylboronic acid;(3-Fluoro-4'-propylbiphenyl-4-yl)dihydroxyborane;A851535;J-515970;Boronicacid,B-(3-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-;3-Fluoro-4 inverted exclamation mark -propylbiphenyl-4-boronic Acid;7-AMINO-2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACID

Chemical Property of (3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid

Chemical Property:

• Vapor Pressure: 0-0.004Pa at 20-50℃
• Boiling Point: 412.5±55.0 °C(Predicted)
• PKA: 8.41±0.58(Predicted)
• PSA: 40.46000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.12500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.1227381
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

99.9% ^*data from raw suppliers

4''-Propyl-3-fluoro-biphenyl-4-boronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)C2=CC=C(C=C2)CCC)F)(O)O
• Uses: 4''-Propyl-3-fluoro-biphenyl-4-boronic acid

Technology Process of (3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic acid

There total 7 articles about (3-Fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)boronic 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: 65.0%

Trimethyl borate (121-43-7,63156-11-6) + 3-fluoro-1-(4-propylphenyl)benzene (948044-01-7) + water (7732-18-5) → 2-fluoro-4-(4-propylphenyl)phenylboronic acid (909709-42-8)

Guidance literature:

3-fluoro-1-(4-propylphenyl)benzene; With n-butyllithium; In tetrahydrofuran; at -80 ℃; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; Inert atmosphere;

water; With hydrogenchloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + 3-fluoro-1-(4-propylphenyl)benzene (948044-01-7) → 2-fluoro-4-(4-propylphenyl)phenylboronic acid (909709-42-8)

Guidance literature:

3-fluoro-1-(4-propylphenyl)benzene; With sec.-butyllithium; In tetrahydrofuran; hexane; cyclohexane; at -71 - -62 ℃; Inert atmosphere;

Trimethyl borate; In tetrahydrofuran; hexane; cyclohexane; at -70 - 0 ℃; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; hexane; cyclohexane; ethyl acetate; at 0 ℃;

Reference yield:

Triisopropyl borate (5419-55-6) + 3-fluoro-1-(4-propylphenyl)benzene (948044-01-7) → 2-fluoro-4-(4-propylphenyl)phenylboronic acid (909709-42-8)

Guidance literature:

3-fluoro-1-(4-propylphenyl)benzene; With sec.-butyllithium; In tetrahydrofuran; at -70 ℃; for 2h;

Triisopropyl borate; In tetrahydrofuran; for 2h;

With hydrogenchloride; In water; at 0 - 20 ℃; for 1h;

upstream raw materials:

Trimethyl borate

3-fluoro-1-(4-propylphenyl)benzene

tri-n-propyl borate

Triisopropyl borate

Refernces

• 1、 -. "ANTIOXIDANT, LIQUID CRYSTAL COMPOSITION, AND DISPLAY ELEMENT". Paragraph 0155; 0157. . Retrieved 2016/10/08.
• 2、 Choluj, Artur,Kula, Przemyslaw,Dabrowski, Roman,Tykarska, Marzena,Jaroszewicz, Leszek. "Synthesis and mesomorphic properties of laterally fluorinated alkyl 4′′-alkylterphenyl-4-yl carbonate liquid crystals". . p. 891 - 900. Retrieved 2014/01/23.