4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Base Information

• Chemical Name: 4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
• CAS No.: 874290-99-0
• Molecular Formula: C14H21BN2O3
• Molecular Weight: 276.143
• Hs Code.: 2934999090
• Mol file: 874290-99-0.mol

Synonyms:1-Methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;

Chemical Property of 4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Chemical Property:

• Vapor Pressure: 6.35E-06mmHg at 25°C
• Melting Point: 183-187 °C
• Refractive Index: 1.521
• Boiling Point: 378.3 °C at 760 mmHg
• PKA: 14.10±0.46(Predicted)
• Flash Point: 182.6 °C
• PSA: 59.59000
• Density: 1.1 g/cm³
• LogP: 2.20100
• Storage Temp.: Keep Cold

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

There total 6 articles about 4-[(METHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 95%4-(3-METHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER 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: 90.0%

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane + methylamine (74-89-5) → 1-methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (874290-99-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 6h;

Reference yield: 90.0%

→ 1-methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (874290-99-0)

Guidance literature:

Reference yield: 88.0%

phenyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate (756520-47-5) + methylamine (74-89-5) → 1-methyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (874290-99-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 6h;

upstream raw materials:

methylamine

1-(4-bromophenyl)-3-methylurea

bis(pinacol)diborane

4-bromophenyl isocyanate

Downstream raw materials:

(S)-1-(4-(4-chloro-6-(3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-methylurea

(S)-1-(4-(4-(5-fluoro-2-(methylthio)phenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-methylurea

(S)-1-(4-(4-(5-fluoro-2-(methylsulfonyl)phenyl)-6-(3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-methylurea

1-[4-[4-(hydroxymethyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-methylurea

Refernces

• 1、 -. "TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS". Paragraph 1824. . Retrieved 2017/05/19.
• 2、 -. "QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS". Page/Page column 54; 55. . Retrieved 2014/10/29.