2-Chloro-4-fluorophenylboronic acid

Base Information

• Chemical Name: 2-Chloro-4-fluorophenylboronic acid
• CAS No.: 313545-72-1
• Molecular Formula: C6H5BClFO2
• Molecular Weight: 174.367
• Hs Code.: 29319090
• Mol file: 313545-72-1.mol

Synonyms:Boronicacid, (2-chloro-4-fluorophenyl)- (9CI);Boronicacid, B-(2-chloro-4-fluorophenyl)-;(2-Chloro-4-fluorophenyl)boronic acid;

Chemical Property of 2-Chloro-4-fluorophenylboronic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 220-223 °C
• Refractive Index: 1.533
• Boiling Point: 290.904 °C at 760 mmHg
• PKA: 8.37±0.58(Predicted)
• Flash Point: 129.735 °C
• PSA: 40.46000
• Density: 1.416 g/cm³
• LogP: 0.15890
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-fluorophenylboronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Chloro-4-fluorophenylboronic acid

There total 2 articles about 2-Chloro-4-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: 89.0%

Trimethyl borate (121-43-7,63156-11-6) + 2-chloro-4-fluoro-1-iodobenzene (101335-11-9) → 2-chloro-4-fluorophenylboronic acid (313545-72-1)

Guidance literature:

2-chloro-4-fluoro-1-iodobenzene; With isopropylmagnesium bromide; In tetrahydrofuran; at -78 ℃; for 1h;

Trimethyl borate; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1002/anie.201708892

Reference yield:

2-chloro-4-fluoro-1-iodobenzene (101335-11-9) → 2-chloro-4-fluorophenylboronic acid (313545-72-1)

Guidance literature:

With hydrogenchloride; isopropylmagnesium chloride; In tetrahydrofuran; diethyl ether; Trimethyl borate;

Reference yield: 96.0%

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-iodo-3-pyridinyl]-N,2-dimethylpropanamide (929048-29-3) + 2-chloro-4-fluorophenylboronic acid (313545-72-1) → 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-chloro-4-(2-chloro-4-fluoro-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 110 ℃; for 0.5h; Microwave irradiation;

upstream raw materials:

2-chloro-4-fluoro-1-iodobenzene

Trimethyl borate

Downstream raw materials:

1-(2,6-dichlorophenyl)-5-(2-chloro-4-fluorophenyl)-7-methoxy-3,4-dihydro-2(1H)-quinazolinone

5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichloro-phenyl)-7-methoxy-3,4-dihydro-1H-quinolin-2-one

2-(2-chloro-4-fluorophenyl)-3-methyl-5-nitropyridine

5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(2-hydroxyethyl)-quinolin-2(1H)-one

Refernces

• 1、 -. "(Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents". . . Retrieved 2008/06/13.