2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID

Base Information

• Chemical Name: 2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID
• CAS No.: 603122-84-5
• Molecular Formula: C8H8BFO4
• Molecular Weight: 197.959
• Hs Code.: 2931900090
• Mol file: 603122-84-5.mol

Synonyms:[2-Fluoro-4-(methoxycarbonyl)phenyl]boronicacid;

Chemical Property of 2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID

Chemical Property:

• Melting Point: 173-175 °C
• Boiling Point: 355.1 °C at 760 mmHg
• PKA: 7.49±0.58(Predicted)
• Flash Point: 168.6 °C
• PSA: 66.76000
• Density: 1.33 g/cm³
• LogP: -0.70790
• Storage Temp.: Keep Cold

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-(methoxycarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: suzuki reaction

Technology Process of 2-FLUORO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID

There total 2 articles about 2-FLUORO-4-(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:

methyl 4-bromo-3-fluorobenzoate (849758-12-9) + bis(pinacol)diborane (73183-34-3) → [2-fluoro-4-(methoxycarbonyl)phenyl]boronic acid (603122-84-5)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In acetonitrile; at 160 ℃; for 0.333333h; Microwave;

Reference yield:

methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (603122-79-8) → [2-fluoro-4-(methoxycarbonyl)phenyl]boronic acid (603122-84-5)

Guidance literature:

With sodium periodate; ammonium acetate; In water; acetone; at 20 ℃;

DOI:10.1021/jm701324c

Reference yield: 86.0%

[2-fluoro-4-(methoxycarbonyl)phenyl]boronic acid (603122-84-5) + N-(4-chloro-5-formylpyridin-2-yl)acetamide (1454913-83-7) → methyl 4-(2-acetamido-5-formylpyridin-4-yl)-3-fluorobenzoate

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; water; at 145 ℃; for 0.116667h; Inert atmosphere; Microwave irradiation;

upstream raw materials:

methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 4-bromo-3-fluorobenzoate

bis(pinacol)diborane

Downstream raw materials:

methyl 4'-[2-[N-(tert-butoxycarbonyl)-N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-fluoro-1,1'-biphenyl-4-carboxylate

methyl 4-(2-(1-benzylpyrrolidin-3(R)-yl)-1-oxo-1,2,3,4-tetrahydroisoqui-nolin-6-yl)-3-fluorobenzoate

methyl 3-fluoro-4-(2-(1-isopropylpyrrolidin-3(R)-yl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzoate

C₃₁H₃₃ClFNO₅