3-Chloro-2-fluorophenylboronic acid

Base Information

• Chemical Name: 3-Chloro-2-fluorophenylboronic acid
• CAS No.: 352535-82-1
• Molecular Formula: C6H5BClFO2
• Molecular Weight: 174.367
• Hs Code.: 2931900090
• European Community (EC) Number: 675-655-4
• DSSTox Substance ID: DTXSID70584261
• Wikidata: Q82475893
• Mol file: 352535-82-1.mol

Synonyms:3-Chloro-2-fluorophenylboronic acid;352535-82-1;(3-chloro-2-fluorophenyl)boronic acid;3-Chloro-2-fluorobenzeneboronic acid;MFCD05664224;3-Chloro-2-fluorophenyl boronic acid;3-Chloro-2-fluorobenzeneboronic Acid (contains varying amounts of Anhydride);Boronic acid, (3-chloro-2-fluorophenyl)-;(3-chloro-2-fluorophenyl)boronicacid;SCHEMBL26748;DTXSID70584261;SUYRGLRWMPEARP-UHFFFAOYSA-N;3-Chloro-2-fluorophenylboronicacid;4-fluoro-2-thiophenecarboxylic acid;(3-chloro-2-fluorophenyl)boranediol;AKOS005254965;AB22315;AM86894;CS-W017487;AS-17799;BP-10211;SY025279;2-FLUORO-3-CHLOROPHENYLBORONIC ACID;C2946;EN300-396457;A822690;Z381540896;(3-chloro-2-fluoro-phenyl)boronic acid

Chemical Property of 3-Chloro-2-fluorophenylboronic acid

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.000188mmHg at 25°C
• Melting Point: 223 °C (dec.)(lit.)
• Refractive Index: 1.533
• Boiling Point: 315.1 °C at 760 mmHg
• PKA: 7.35±0.58(Predicted)
• Flash Point: 144.4 °C
• PSA: 40.46000
• Density: 1.41 g/cm³
• LogP: 0.15890
• Storage Temp.: Keep Cold
• Water Solubility.: Insoluble in water. Soluble in organic solvents.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.0055154
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-2-fluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C(=CC=C1)Cl)F)(O)O
• Uses: 3-Chloro-2-fluorobenzeneboronic acid, Is used inorganic synthesis, catalysis, analytical chemistry and biological systems.

Technology Process of 3-Chloro-2-fluorophenylboronic acid

There total 6 articles about 3-Chloro-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: 84.0%

1-chloro-2-fluorobenzene (348-51-6) → (3-chloro-2-fluorophenyl) boronic acid (352535-82-1)

Guidance literature:

1-chloro-2-fluorobenzene; With Triisopropyl borate; sec.-butyllithium; In tetrahydrofuran; hexane; cyclohexane; at -78 ℃; for 1h;

With Triisopropyl borate; In tetrahydrofuran; hexane; cyclohexane; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; hexane; cyclohexane; water; pH=1;

DOI:10.1016/j.tet.2010.05.014

Reference yield: 75.0%

Trimethyl borate (121-43-7,63156-11-6) + 1-chloro-2-fluorobenzene (348-51-6) → (3-chloro-2-fluorophenyl) boronic acid (352535-82-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; cyclohexane; at -50 ℃; Flow reactor;

DOI:10.1021/op500213j

Reference yield: 35.0%

1-bromo-2-fluoro-3-chlorobenzene (144584-65-6) → (3-chloro-2-fluorophenyl) boronic acid (352535-82-1)

Guidance literature:

1-bromo-2-fluoro-3-chlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -80 ℃; for 1.5h; Inert atmosphere;

With Trimethyl borate; In tetrahydrofuran; hexane; at 20 ℃; for 19h;

With hydrogenchloride; In tetrahydrofuran; hexane; water;

upstream raw materials:

1-chloro-2-fluorobenzene

1-bromo-2-fluoro-3-chlorobenzene

Trimethyl borate

Downstream raw materials:

8-chlorobenzo[b]naphtho[1,2-d]furan

6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid

6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid methyl ester

Refernces

• 1、 -. "ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC APPLIANCE, AND LIGHTING DEVICE". Paragraph 0200; 0201; 0202. . Retrieved 2015/02/19.
• 2、 Newby, James A.,Blaylock, D. Wayne,Witt, Paul M.,Pastre, Julio C.,Zacharova, Marija K.,Ley, Steven V.,Browne, Duncan L.. "Design and application of a low-temperature continuous flow chemistry platform". . p. 1211 - 1220. Retrieved 2014/12/10.