(3-FLUORO-5-METHOXYCARBONYL)BENZENEBORONIC ACID

Base Information

• Chemical Name: (3-FLUORO-5-METHOXYCARBONYL)BENZENEBORONIC ACID
• CAS No.: 871329-62-3
• Molecular Formula: C₈H₈BFO₄
• Molecular Weight: 197.959
• Hs Code.: 2931900090
• Mol file: 871329-62-3.mol

Synonyms:METHYL 3-BORONO-5-FLUOROBENZOATE;(3-FLUORO-5-METHOXYCARBONYL)BENZENEBORONIC ACID;(3-FLUORO-5-METHOXYCARBONYLPHENYL)BORONIC ACID;3-Fluoro-5-(methoxycarbonyl)benzeneboronicacid95%

Chemical Property of (3-FLUORO-5-METHOXYCARBONYL)BENZENEBORONIC ACID

Chemical Property:

• Vapor Pressure: 3.3E-06mmHg at 25°C
• Melting Point: 138-142
• Refractive Index: 1.513
• Boiling Point: 372.5ºC at 760 mmHg
• Flash Point: 179.1ºC
• PSA: 66.76000
• Density: 1.33g/cm3
• LogP: -0.70790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water.

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-5-methoxycarbonylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Fluoro-5-(methoxycarbonyl)benzeneboronic acid is used as pharmaceutical intermediate.

Technology Process of (3-FLUORO-5-METHOXYCARBONYL)BENZENEBORONIC ACID

There total 1 articles about (3-FLUORO-5-METHOXYCARBONYL)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: 94.0%

methanol (67-56-1) + 3-(dihydroxyboranyl)-5-fluorobenzoic acid (871329-84-9) → (3-fluoro-5-(methoxycarbonyl)phenyl)boronic acid (871329-62-3)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield:

(3-fluoro-5-(methoxycarbonyl)phenyl)boronic acid (871329-62-3) → C12H10FN3O

Guidance literature:

Multi-step reaction with 2 steps

1: palladium bis[bis(diphenylphosphino)ferrocene] dichloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 0.5 h / 120 °C / Microwave irradiation; Inert atmosphere

2: hydrazine hydrate / ethanol / 6 h / Reflux

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; hydrazine hydrate; In 1,4-dioxane; ethanol; water; 1: |Suzuki Coupling;

DOI:10.1021/acs.jmedchem.8b00641

Reference yield:

(3-fluoro-5-(methoxycarbonyl)phenyl)boronic acid (871329-62-3) → C11H8F2N4O

Guidance literature:

Multi-step reaction with 2 steps

1: palladium bis[bis(diphenylphosphino)ferrocene] dichloride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; water / 0.5 h / 120 °C / Microwave irradiation; Inert atmosphere

2: hydrazine hydrate / ethanol / 6 h / Reflux

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; hydrazine hydrate; In 1,4-dioxane; ethanol; water; 1: |Suzuki Coupling;

DOI:10.1021/acs.jmedchem.8b00641

upstream raw materials:

methanol

3-(dihydroxyboranyl)-5-fluorobenzoic acid

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