(3-Fluoro-4'-pentyl-[1,1'-biphenyl]-4-YL)boronic acid

Base Information

• Chemical Name: (3-Fluoro-4'-pentyl-[1,1'-biphenyl]-4-YL)boronic acid
• CAS No.: 163129-14-4
• Molecular Formula: C17H20 B F O2
• Molecular Weight: 286.154
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID70696535
• Nikkaji Number: J3.209.500C
• Wikidata: Q82626164
• Mol file: 163129-14-4.mol

Synonyms:163129-14-4;(3-FLUORO-4'-PENTYL-[1,1'-BIPHENYL]-4-YL)BORONIC ACID;4'-PENTYL-3-FLUOROBIPHENYL-4-BORONIC ACID;[2-fluoro-4-(4-pentylphenyl)phenyl]boronic acid;3-FLUORO-4'-PENTYLBIPHENYL-4-YLBORONIC ACID;4''-PENTYL-3-FLUOROBIPHENYL-4-BORONIC ACID;4/'/'-PENTYL-3-FLUOROBIPHENYL-4-BORONIC ACID;{3-fluoro-4'-pentyl-[1,1'-biphenyl]-4-yl}boronic acid;3-FLUORO-4'-PENTYLBIPHENYL-4-BORONIC ACID;SCHEMBL1533765;DTXSID70696535;BORONIC ACID, B-(3-FLUORO-4'-PENTYL[1,1'-BIPHENYL]-4-YL)-;MFCD07368492;AB32024;AS-55778;4'-Pentyl-3-Fulorobiphenyl-4-Boronic Acid;4'-Pentyl-3-fluoro-biphenyl-4-boronic acid;4/'-Pentyl-3-fluorobiphenyl-4-boronic acid;CS-0447707;4-PENTYL-3-FLUOROBIPHENYL-4-BORONICACID;(3-Fluoro-4'-pentylbiphenyl-4-yl)dihydroxyborane;J-010007;(3-Fluoro-4'-pentyl[1,1'-biphenyl]-4-yl)boronic acid;(3-FLUORO-4'-PENTYL-[1,1'-BIPHENYL]-4-YL)BORONICACID

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

Chemical Property:

• Boiling Point: 436.1±55.0 °C(Predicted)
• PKA: 8.40±0.58(Predicted)
• PSA: 40.46000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 2.90520
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 286.1540382
• Heavy Atom Count: 21
• Complexity: 293

Purity/Quality:

99.9% ^*data from raw suppliers

(3-Fluoro-4'-pentyl-[1,1'-biphenyl]-4-yl)boronicacid 97% ^*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)CCCCC)F)(O)O

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

There total 1 articles about (3-Fluoro-4'-pentyl-[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:

tri-n-propyl borate (688-71-1) + 3-fluoro-4'-pentyl-1,1'-biphenyl (163129-13-3) → 4-(4-pentylphenyl) o-fluorophenylboronic acid (163129-14-4)

Guidance literature:

3-fluoro-4'-pentyl-1,1'-biphenyl; With n-butyllithium;

tri-n-propyl borate;

With hydrogenchloride; In water;

DOI:10.1039/c3tc31461h

Reference yield: 93.0%

4-(4-pentylphenyl) o-fluorophenylboronic acid (163129-14-4) + 5-[4-chloro-(2,6-difluorophenyl)difluoromethoxy]-1,2,3-trifluorobenzene → 4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2',3,5-trifluoro-4-pentyl-[1,1';4',1]terphenyl (916156-32-6)

Guidance literature:

With 5%-palladium/activated carbon; tetrabutylammomium bromide; triethylamine; XPhos; In N,N-dimethyl acetamide; water; toluene; at 20 - 99 ℃; for 4.58333h; Temperature; Autoclave; Inert atmosphere;

Reference yield:

4-(4-pentylphenyl) o-fluorophenylboronic acid (163129-14-4) + 4,7-dichloro-benzo[1,2,3]thiadiazole (23616-14-0) → C40H40F2N2S

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; trihexylphosphine; sodium t-butanolate; In toluene; Reflux; Inert atmosphere;

upstream raw materials:

tri-n-propyl borate

3-fluoro-4'-pentyl-1,1'-biphenyl

Downstream raw materials:

4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2',3,5-trifluoro-4-pentyl-[1,1';4',1]terphenyl

C₃₆H₂₆F₈O

Refernces