2-(3-Cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(3-Cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 627526-59-4
• Molecular Formula: C15H20BFO2
• Molecular Weight: 262.13
• European Community (EC) Number: 860-189-8
• Mol file: 627526-59-4.mol

Synonyms:2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;627526-59-4;4-fluoro-3-cyclopropylphenylboronic acid pinacol ester;SCHEMBL5783076;LQJNWLHPMPIZRY-UHFFFAOYSA-N;AKOS015947143;CS-0161643;E74574;EN300-705483;Z2049760312;2-(3-cyclopropyl-4-fluoro-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane;2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Chemical Property of 2-(3-Cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• PSA: 18.46000
• LogP: 3.00230
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 262.1540382
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C3CC3

Technology Process of 2-(3-Cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 1 articles about 2-(3-Cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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:

→ 2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (627526-59-4)

Guidance literature:

Reference yield:

2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (627526-59-4) → {4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl}methanol

Guidance literature:

Multi-step reaction with 2 steps

1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In 1,4-dioxane;

Reference yield:

2-(3-cyclopropyl-4-fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (627526-59-4) → tert-butyl N-{4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]benzyl}-N-(tert-butoxycarbonyl)carbamate

Guidance literature:

Multi-step reaction with 3 steps

1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

2.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

3.1: triethylamine; methanesulfonyl chloride / tetrahydrofuran / 0.5 h / Inert atmosphere; Cooling with ice

3.2: 1 h / 20 °C

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; methanesulfonyl chloride; triethylamine; In tetrahydrofuran; 1,4-dioxane;

Refernces