4-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester

Base Information

• Chemical Name: 4-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester
• CAS No.: 867256-77-7
• Molecular Formula: C13H16 B F O4
• Molecular Weight: 266.077
• Hs Code.: 2934999090
• Mol file: 867256-77-7.mol

Synonyms:2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid

Chemical Property of 4-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester

Chemical Property:

• Vapor Pressure: 2.25E-06mmHg at 25°C
• Melting Point: 289-295℃
• Refractive Index: 1.509
• Boiling Point: 377.6°C at 760 mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 182.2°C
• PSA: 55.76000
• Density: 1.2g/cm³
• LogP: 1.82310
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

≥99% ^*data from raw suppliers

4-Carboxy-3-fluorophenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester

There total 1 articles about 4-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester 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: 100.0%

4-(dihydroxyboranyl)-2-fluorobenzoic acid (120153-08-4) + 2,3-dimethyl-2,3-butane diol (76-09-5) → 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (867256-77-7)

Guidance literature:

In ethanol; toluene; for 24h; Reflux;

Reference yield: 94.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (867256-77-7) → 2,5-dioxopyrrolidin-1-yl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20 ℃;

Reference yield: 80.0%

2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (867256-77-7) + Cyclohexyl isocyanide (931-53-3) + benzaldehyde (100-52-7) → 2-(cyclohexylamino)-2-oxo-1-phenylethyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (1492042-96-2)

Guidance literature:

2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; benzaldehyde; In water; at 45 ℃; for 0.1h; Microwave irradiation; Green chemistry;

Cyclohexyl isocyanide; In water; at 45 ℃; for 2h; Microwave irradiation; Green chemistry;

DOI:10.3390/molecules18089488

upstream raw materials:

4-(dihydroxyboranyl)-2-fluorobenzoic acid

2,3-dimethyl-2,3-butane diol

Downstream raw materials:

(2,6-dimethyl-morpholin-4-yl)-[2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone

2-(cyclohexylamino)-2-oxo-1-phenylethyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

2-(cyclohexylamino)-2-oxo-1-(4-(trifluoromethyl)phenyl)ethyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

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