4-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC ACID

Base Information

• Chemical Name: 4-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC ACID
• CAS No.: 850568-33-1
• Molecular Formula: C₁₃H₂₀BNO₃
• Molecular Weight: 249.118
• Hs Code.: 2931900090
• Mol file: 850568-33-1.mol

Synonyms:Boronicacid, [4-[[bis(1-methylethyl)amino]carbonyl]phenyl]- (9CI);4-(Diisopropylcarbamoyl)phenylboronic acid;4-(N,N-Diisopropylaminocarbonyl)phenylboronic acid;

Chemical Property of 4-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC ACID

Chemical Property:

• Vapor Pressure: 3.73E-08mmHg at 25°C
• Melting Point: 228-234 °C
• Refractive Index: 1.527
• Boiling Point: 429.9 °C at 760 mmHg
• Flash Point: 213.8 °C
• PSA: 60.77000
• Density: 1.1 g/cm³
• LogP: 0.62540

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Diisopropylcarbamoyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC ACID

There total 2 articles about 4-(DIISOPROPYLCARBAMOYL)PHENYLBORONIC 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: 51.8%

Triisopropyl borate (5419-55-6) + 4-bromo-N,N-diisopropylbenzamide (79606-46-5) → (4-(diisopropylcarbamoyl)phenyl)boronic acid (850568-33-1)

Guidance literature:

4-bromo-N,N-diisopropylbenzamide; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 1.25h; Inert atmosphere;

Triisopropyl borate; at 20 ℃; for 3.25h; Time; Temperature; Inert atmosphere;

Reference yield:

4-Bromobenzoic acid (586-76-5) + diisopropylamine (108-18-9) → (4-(diisopropylcarbamoyl)phenyl)boronic acid (850568-33-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / 2.5 h / Reflux

1.2: 2 h / 20 °C / Cooling with ice

2.1: n-butyllithium / tetrahydrofuran; hexane / 1.25 h / -75 °C / Inert atmosphere

2.2: 3.25 h / 20 °C / Inert atmosphere

With n-butyllithium; thionyl chloride; In tetrahydrofuran; hexane;

upstream raw materials:

4-Bromobenzoic acid

diisopropylamine

Triisopropyl borate

4-bromo-N,N-diisopropylbenzamide

Refernces