4-Benzyloxy-2-fluorophenylboronic acid

Base Information

• Chemical Name: 4-Benzyloxy-2-fluorophenylboronic acid
• CAS No.: 166744-78-1
• Molecular Formula: C₁₃H₁₂BFO₃
• Molecular Weight: 246.046
• Hs Code.: 2931900090
• European Community (EC) Number: 672-875-2
• DSSTox Substance ID: DTXSID70372241
• Wikidata: Q72442276
• Mol file: 166744-78-1.mol

Synonyms:166744-78-1;4-Benzyloxy-2-fluorophenylboronic acid;4-Benzyloxy-2-fluorobenzeneboronic acid;(4-(Benzyloxy)-2-fluorophenyl)boronic acid;4-(benzyloxy)-2-fluorophenylboronic acid;(2-fluoro-4-phenylmethoxyphenyl)boronic acid;MFCD02093064;Boronic acid, [2-fluoro-4-(phenylmethoxy)phenyl]-;4-(benzyloxy)-2-fluorophenylboronic acid, may contain varying amounts of anhydride, 97%;[4-(benzyloxy)-2-fluorophenyl]boronic acid;Boronic acid, B-[2-fluoro-4-(phenylmethoxy)phenyl]-;(4-benzyloxy-2-fluoro-phenyl)boronic acid;SCHEMBL1711426;DTXSID70372241;PQWKGFALWCOVTC-UHFFFAOYSA-N;4-Benzyloxy-2-fluorophenylboronicacid;2-fluoro-4-benzyloxyphenylboronic acid;AKOS004113766;AB10746;CS-W012704;PS-9564;4-(benzoxy)-2-fluorophenylboronic acid;4-benzyloxy-2-fluoro-phenylboronic acid;AC-30999;SY034274;B4638;FT-0617649;EN300-832856;A810766;J-514496;4-(benzyloxy)-2-fluorophenylboronic acid, AldrichCPR;Z1258926902;4-(Benzyloxy)-2-fluorophenylboronic Acid

Chemical Property of 4-Benzyloxy-2-fluorophenylboronic acid

Chemical Property:

• Vapor Pressure: 2.4E-07mmHg at 25°C
• Melting Point: 151 °C
• Refractive Index: 1.577
• Boiling Point: 406.8 °C at 760 mmHg
• PKA: 8.50±0.58(Predicted)
• Flash Point: 199.8 °C
• PSA: 49.69000
• Density: 1.26 g/cm³
• LogP: 1.08450
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 246.0863526
• Heavy Atom Count: 18
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyloxy-2-fluorophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)F)(O)O
• Uses: suzuki reaction

Technology Process of 4-Benzyloxy-2-fluorophenylboronic acid

There total 1 articles about 4-Benzyloxy-2-fluorophenylboronic 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: 57.9%

→ 2-Fluoro-4-benzyloxyphenylboronic acid (166744-78-1)

Guidance literature:

Reference yield: 83.8%

2-Fluoro-4-benzyloxyphenylboronic acid (166744-78-1) + 4-(benzyloxy)-1-bromo-2-methylbenzene (17671-75-9) → C27H23FO2

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; N,N-dimethyl-formamide; for 3h; Inert atmosphere; Reflux;

Reference yield: 82.0%

2-Fluoro-4-benzyloxyphenylboronic acid (166744-78-1) + 6-bromo-3-methyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester (1429171-71-0) → 6-(4-benzyloxy-2-fluorophenyl)-3-methyl-1-(tetrahydropyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester (1429171-73-2)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 85 ℃; for 1.5h; Inert atmosphere;

Downstream raw materials:

6-(4-benzyloxy-2-fluorophenyl)-3-methyl-1-(tetrahydropyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester

6-(4-benzyloxy-2-fluoro-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Refernces