2-Fluoro-5-formylphenylboronic acid

Base Information

• Chemical Name: 2-Fluoro-5-formylphenylboronic acid
• CAS No.: 352534-79-3
• Molecular Formula: C7H6BFO3
• Molecular Weight: 167.932
• Hs Code.: 2931900090
• European Community (EC) Number: 672-909-6
• DSSTox Substance ID: DTXSID60376834
• Wikidata: Q72479844
• Mol file: 352534-79-3.mol

Synonyms:2-Fluoro-5-formylphenylboronic acid;352534-79-3;(2-fluoro-5-formylphenyl)boronic acid;2-Fluoro-5-formylphenyl;2-fluoro-5-formylbenzeneboronic acid;MFCD03095100;2-Fluoro-5-formylphenylboronicacid;3-BORONO-4-FLUOROBENZALDEHYDE;SCHEMBL1711479;DTXSID60376834;SQSWYWCEKCVQEA-UHFFFAOYSA-N;2-fluoro-5-formylphenyl boronic acid;AKOS006344442;AB13486;CS-W016044;AS-12307;BP-10230;SY009436;FT-0644492;(2-fluoranyl-5-methanoyl-phenyl)boronic acid;2-Fluoro-5-formylphenylboronic acid, AldrichCPR;EN300-7367754;A822685;J-509440

Chemical Property of 2-Fluoro-5-formylphenylboronic acid

Chemical Property:

• Appearance/Colour: off-white cryst
• Vapor Pressure: 8.11E-06mmHg at 25°C
• Melting Point: 168-171 °C
• Refractive Index: 1.524
• Boiling Point: 360.2 °C at 760 mmHg
• Flash Point: 171.7 °C
• PSA: 57.53000
• Density: 1.33 g/cm³
• LogP: -0.68200
• Sensitive.: Air Sensitive
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.0394024
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-5-formylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-40-20/21/22-22
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1)C=O)F)(O)O

Technology Process of 2-Fluoro-5-formylphenylboronic acid

There total 1 articles about 2-Fluoro-5-formylphenylboronic 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: 90.0%

potassium (2-fluoro-5-formyl)phenyltrifluoroborate (1012868-70-0) + water (7732-18-5) → (2-fluoro-5-formylphenyl)boronic acid (352534-79-3)

Guidance literature:

With montmorillonite K₁₀; at 25 ℃; for 24h;

DOI:10.21577/0103-5053.20180126

Reference yield: 96.0%

(2-fluoro-5-formylphenyl)boronic acid (352534-79-3) + 4-(5-bromopyrimidin-2-yl)morpholine (84539-22-0) → 4-fluoro-3-[2-(morpholin-4-yl)pyrimidin-5-yl]benzaldehyde

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 80 ℃; for 2.5h; Inert atmosphere;

DOI:10.1016/j.bmc.2017.09.036

Reference yield: 81.0%

(2-fluoro-5-formylphenyl)boronic acid (352534-79-3) + N-(5-bromo-2-(4-methylpiperazin-1-yl)phenyl)-4-(trifluoromethyl)-6-(2-(trimethylsilyl)ethoxy)nicotinamide → N-(2'-fluoro-5'-formyl-4-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-3-yl)-4-(trifluoromethyl)-6-(2-(trimethylsilyl)ethoxy)nicotinamide

Guidance literature:

With potassium phosphate; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); In 1,4-dioxane; water; at 110 ℃; for 1h; Inert atmosphere; Microwave irradiation;

upstream raw materials:

potassium (2-fluoro-5-formyl)phenyltrifluoroborate

water

Downstream raw materials:

potassium (2-fluoro-5-formyl)phenyltrifluoroborate

3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-3-yl)-pyridin-2-yl]-4-fluoro-benzaldehyde

C₁₉H₃₀BFN₂O₄

methyl 6-(2-fluoro-5-formylphenyl)picolinate