4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97

Base Information

• Chemical Name: 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97
• CAS No.: 874290-95-6
• Molecular Formula: C₁₇H₂₅BN₂O₃
• Molecular Weight: 316.208
• Hs Code.: 2934999090
• Mol file: 874290-95-6.mol

Synonyms:4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97;4-(PYRROLIDINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER;4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PYRROLIDINE-1-CARBOXAMIDE;4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97%;4-(1-PyrrolidinylcarbonylaMino)benzeneboronic acid pinacol ester, 97%;1-PyrrolidinecarboxaMide, N-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-;Pyrrolidine-1-carboxylic acid [4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-aMide

Chemical Property of 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97

Chemical Property:

• Vapor Pressure: 7.7E-10mmHg at 25°C
• Melting Point: 243-245 °C
• Refractive Index: 1.546
• Boiling Point: 492.4 °C at 760 mmHg
• Flash Point: 251.6 °C
• PSA: 50.80000
• Density: 1.13 g/cm³
• LogP: 2.62440
• Storage Temp.: Keep Cold

Purity/Quality:

97% ^*data from raw suppliers

4-[(Pyrrolidin-1-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97

There total 2 articles about 4-[(PYRROLIDIN-1-YLCARBONYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 97 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: 85.1%

pyrrolidine (123-75-1) + bis(trichloromethyl) carbonate (32315-10-9) + 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline (214360-73-3) → N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide (874290-95-6)

Guidance literature:

bis(trichloromethyl) carbonate; 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline; With triethylamine; In dichloromethane; at 20 ℃; for 0.0333333h;

pyrrolidine; In dichloromethane; at 20 ℃; for 0.0166667h;

DOI:10.1016/j.molstruc.2021.130261

Reference yield:

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene (171364-83-3) → N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide (874290-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: palladium 10% on activated carbon; hydrogen

2.1: triethylamine / dichloromethane / 0.03 h / 20 °C

2.2: 0.02 h / 20 °C

With palladium 10% on activated carbon; hydrogen; triethylamine; In dichloromethane;

DOI:10.1016/j.molstruc.2021.130261

upstream raw materials:

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene

pyrrolidine

bis(trichloromethyl) carbonate

4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline