4-Chloro-3-fluorophenylboronic acid

Base Information

• Chemical Name: 4-Chloro-3-fluorophenylboronic acid
• CAS No.: 137504-86-0
• Molecular Formula: C6H5BClFO2
• Molecular Weight: 174.367
• Hs Code.: 29319000
• European Community (EC) Number: 675-622-4
• DSSTox Substance ID: DTXSID70381055
• Nikkaji Number: J2.207.318D
• Wikidata: Q72451160
• Mol file: 137504-86-0.mol

Synonyms:4-Chloro-3-fluorophenylboronic acid;137504-86-0;(4-chloro-3-fluorophenyl)boronic acid;4-Chloro-3-fluorobenzeneboronic acid;MFCD01319010;3-FLUORO-4-CHLOROPHENYLBORONIC ACID;Boronic acid, (4-chloro-3-fluorophenyl)-;B-(4-chloro-3-fluorophenyl)-boronic acid;(4-chloro-3-fluoro-phenyl)boronic Acid;SCHEMBL310780;AMY8826;DTXSID70381055;CMJQIHGBUKZEHP-UHFFFAOYSA-N;4-chloro3-fluorophenylboronic acid;4-chloro-3-flurophenylboronic acid;CS-D1011;BBL020583;STK893272;(4-chloro-3-fluorophenyl)boronicacid;4-chloro-3-fluoro-phenylboronic acid;AKOS000285050;AB08827;AC-5394;GS-6724;SY008151;A2962;C2749;FT-0643268;Boronic acid, B-(4-chloro-3-fluorophenyl)-;EN300-391763;4-Chloro-3-fluorophenylboronic acid, AldrichCPR;J-515004;Z819231688

Chemical Property of 4-Chloro-3-fluorophenylboronic acid

Chemical Property:

• Appearance/Colour: Off-white crystal
• Vapor Pressure: 0.000434mmHg at 25°C
• Melting Point: 85-87°C(lit.)
• Refractive Index: 1.533
• Boiling Point: 302.6 °C at 760 mmHg
• PKA: 7.31±0.10(Predicted)
• Flash Point: 136.8 °C
• PSA: 40.46000
• Density: 1.41 g/cm³
• LogP: 0.15890
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

99% ^*data from raw suppliers

4-?Chloro-?3-?fluorophenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 26-36/37/39-36-39-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)Cl)F)(O)O
• Uses: suzuki reaction 4-?Chloro-?3-?fluorophenylboronic Acid is a useful synthetic compound.

Technology Process of 4-Chloro-3-fluorophenylboronic acid

There total 2 articles about 4-Chloro-3-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: 86.0%

Trimethyl borate (121-43-7,63156-11-6) + 2-chloro-5-bromofluorobenzene (60811-18-9) → 3-fluoro-4-chlorophenylboronic acid (137504-86-0)

Guidance literature:

2-chloro-5-bromofluorobenzene; With magnesium; In tetrahydrofuran; at 20 - 30 ℃; for 1h;

Trimethyl borate; In tetrahydrofuran; at 0 - 10 ℃; for 2h;

Reference yield:

2-chloro-5-bromofluorobenzene (60811-18-9) → 3-fluoro-4-chlorophenylboronic acid (137504-86-0)

Guidance literature:

2-chloro-5-bromofluorobenzene; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexanes; at -100 - 20 ℃; for 18.25h;

With hydrogenchloride; In tetrahydrofuran; hexanes; water; at 20 ℃;

Reference yield: 100.0%

3-fluoro-4-chlorophenylboronic acid (137504-86-0) + 2-bromo-4-(ethoxycarbonyl)-1,3-oxazol-5-ylium (460081-20-3) → ethyl 2-(4-chloro-3-fluorophenyl)oxazole-4-carboxylate

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; potassium carbonate; In tetrahydrofuran; water; at 65 ℃; for 12h;

upstream raw materials:

2-chloro-5-bromofluorobenzene

Trimethyl borate

Downstream raw materials:

5-(4-chloro-3-fluoro-phenyl)-thiophene-2-carboxylic acid methyl ester

2-(4-Chloro-3-fluorophenyl)-5-(4-propylphenyl)-pyridine

4'-chloro-5,3'-difluoro-biphenyl-2-yl-amine

C₂₀H₁₃Cl₂F₂N₃S

Refernces

• 1、 -. "QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS". Page 15-16. . Retrieved 2010/02/06.