4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID

Base Information

• Chemical Name: 4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID
• CAS No.: 481681-02-1
• Molecular Formula: C7H8BFO3
• Molecular Weight: 169.948
• Hs Code.: 2931900090
• Mol file: 481681-02-1.mol

Synonyms:Boronicacid, [4-fluoro-3-(hydroxymethyl)phenyl]- (9CI);4-Fluoro-3-hydroxymethylphenylboronicacid;

Chemical Property of 4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 124-126 °C
• Refractive Index: 1.542
• Boiling Point: 365.782 °C at 760 mmHg
• PKA: 8.39±0.10(Predicted)
• Flash Point: 175.019 °C
• PSA: 60.69000
• Density: 1.353 g/cm³
• LogP: -1.00220
• Storage Temp.: Keep Cold

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-3-(hydroxymethyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Uses: suzuki reaction

Technology Process of 4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID

There total 4 articles about 4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC 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: 92.2%

(4-fluoro-3-formylphenyl)boronic acid (374538-01-9) → (4-fluoro-3-(hydroxymethyl)phenyl)boronic acid (481681-02-1)

Guidance literature:

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 6h; Cooling with ice;

Reference yield: 60.0%

Triisopropyl borate (5419-55-6) + (5-bromo-2-fluorophenyl)methanol (99725-13-0) → (4-fluoro-3-(hydroxymethyl)phenyl)boronic acid (481681-02-1)

Guidance literature:

(5-bromo-2-fluorophenyl)methanol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.666667h;

Triisopropyl borate; In tetrahydrofuran; hexane; at 20 ℃; for 3h; Inert atmosphere;

Reference yield:

(5-bromo-2-fluorophenyl)methanol (99725-13-0) → (4-fluoro-3-(hydroxymethyl)phenyl)boronic acid (481681-02-1)

Guidance literature:

(5-bromo-2-fluorophenyl)methanol; With n-butyllithium; In tetrahydrofuran; at -78 ℃;

With Triisopropyl borate; In tetrahydrofuran; at -78 - 25 ℃;

With hydrogenchloride; In tetrahydrofuran; water; at 18 - 25 ℃; for 1h;

upstream raw materials:

(5-bromo-2-fluorophenyl)methanol

5-bromo-2-fluorobenzaldehyde

Triisopropyl borate

(4-fluoro-3-formylphenyl)boronic acid

Downstream raw materials:

3-(4-fluoro-3-(2-methoxyxymethyl)-phenyl)-5-nitro-1-trityl-1H-indazole

3-[4-fluoro-3-(2-methoxymethyl)-phenyl]-1-trityl-1H-indazol-5-ylamine

[4-(3-allyloxymethyl-4-fluorophenyl)-pyrimidin-2-yl]-[3-allyloxymethyl-4-(2-pyrrolidin-1-yl-ethoxy)phenyl]amine

4-(3-allyloxymethyl-4-fluoro-phenyl)-2-chloropyrimidine

Refernces

• 1、 -. "PHOSPHONATE CONJUGATES AND USES THEREOF". . . Retrieved 2020/07/31.
• 2、 -. "8-(BIARYL) QUINOLINE PDE4 INHIBITORS". Page 50. . Retrieved 2010/02/06.