(4-((2-Fluorobenzyl)oxy)phenyl)boronic acid

Base Information

• Chemical Name: (4-((2-Fluorobenzyl)oxy)phenyl)boronic acid
• CAS No.: 1072951-78-0
• Molecular Formula: C₁₃H₁₂BFO₃
• Molecular Weight: 246.046
• Hs Code.: 2931900090
• European Community (EC) Number: 693-846-0
• DSSTox Substance ID: DTXSID50655847
• Wikidata: Q82570168
• Mol file: 1072951-78-0.mol

Synonyms:1072951-78-0;(4-((2-Fluorobenzyl)oxy)phenyl)boronic acid;4-(2'-FLUOROBENZYLOXY)PHENYLBORONIC ACID;[4-[(2-fluorophenyl)methoxy]phenyl]boronic acid;{4-[(2-Fluorophenyl)methoxy]phenyl}boronic acid;(4-((2-Fluorobenzyl)oxy)phenyl)boronicacid;SCHEMBL3761511;DTXSID50655847;MFCD08705274;AKOS009319633;BP-12130;BS-22524;CS-0174557;4-(2'-Fluorobenzyloxy)phenylboronic acid, >=95%;A898892

Chemical Property of (4-((2-Fluorobenzyl)oxy)phenyl)boronic acid

Chemical Property:

• Melting Point: 156-160?°C
• Boiling Point: 418.6±55.0 °C(Predicted)
• PKA: 8.66±0.16(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 246.0863526
• Heavy Atom Count: 18
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

4-(2′-Fluorobenzyloxy)phenylboronic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)OCC2=CC=CC=C2F)(O)O
• Uses: 4-(2''-Fluorobenzyloxy)phenylboronic acid

Technology Process of (4-((2-Fluorobenzyl)oxy)phenyl)boronic acid

There total 1 articles about (4-((2-Fluorobenzyl)oxy)phenyl)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:

C15H16BFO3 → (4-((2-fluorobenzyl)oxy)phenyl)boronic acid (1072951-78-0)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; for 0.0833333h;

Reference yield: 80.0%

(4-((2-fluorobenzyl)oxy)phenyl)boronic acid (1072951-78-0) + (S)-3-(3-(tert-butoxycarbonyl)-5-oxooxazolidin-4-yl)propanoic acid (183442-88-8) → tert-butyl (S)-4-(3-(4-((2-fluorobenzyl)oxy)phenyl)-3-oxopropyl)-5-oxooxazolidine-3-carboxylate

Guidance literature:

With water; palladium diacetate; 2,2-dimethylpropanoic anhydride; triphenylphosphine; In tetrahydrofuran; at 20 - 60 ℃; for 25h; Reagent/catalyst; Temperature;

Reference yield: 77.0%

(4-((2-fluorobenzyl)oxy)phenyl)boronic acid (1072951-78-0) + (S)-3-(3-(tert-butoxycarbonyl)-5-oxooxazolidin-4-yl)propanoic pivalic anhydride → tert-butyl (S)-4-(3-(4-((2-fluorobenzyl)oxy)phenyl)-3-oxopropyl)-5-oxooxazolidine-3-carboxylate

Guidance literature:

With palladium diacetate; triphenylphosphine; In tetrahydrofuran; at 60 ℃; for 24h; Reagent/catalyst; Temperature;

Downstream raw materials:

methyl (S)-5-(4-((2-fluorobenzyl)oxy)phenyl)-3,4-dihydro-2H-pyrrole-2-carboxylate

(2S,5R)-methyl-5-(4-((2-fluorobenzyl)oxy)phenyl)pyrrolidine-2-carboxylate

methyl (S)-2-((tert-butoxycarbonyl)amino)-5-(4-((2-fluorobenzyl)oxy)phenyl)-5-oxopentanoate