4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Base Information

• Chemical Name: 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
• CAS No.: 874291-00-6
• Molecular Formula: C15H23BN2O3
• Molecular Weight: 290.17
• Hs Code.: 2934999090
• Mol file: 874291-00-6.mol

Synonyms:4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ETHYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-ETHYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(Ethylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%;4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Chemical Property of 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Chemical Property:

• Vapor Pressure: 2.3E-06mmHg at 25°C
• Melting Point: 194-196
• Refractive Index: 1.519
• Boiling Point: 392.4 °C at 760 mmHg
• Flash Point: 191.1 °C
• PSA: 59.59000
• Density: 1.09 g/cm³
• LogP: 2.59110
• Storage Temp.: Keep Cold

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Ethylureido)phenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

There total 3 articles about 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)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: 84.0%

1-(4-bromophenyl)-3-ethylurea (82745-18-4) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 1-ethyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]urea (874291-00-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; at 100 ℃; for 2h;

Reference yield:

4-bromo-aniline (106-40-1) → 1-ethyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]urea (874291-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine; dmap / N,N-dimethyl-formamide

1.2: 3 h / 20 °C

2.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 2 h / 100 °C / Inert atmosphere

With dmap; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; N,N-dimethyl-formamide; 2.1: |Suzuki Coupling;

Reference yield:

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane + ethylamine (75-04-7,85404-22-4) → 1-ethyl-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]urea (874291-00-6)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/jm9013828

upstream raw materials:

ethylamine

4-bromo-aniline

1-(4-bromophenyl)-3-ethylurea

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

Downstream raw materials:

(S)-1-ethyl-3-(4-(2-(3-methylmorpholino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)phenyl)urea

1-ethyl-3-(4-(4'-morpholino-5'H-spiro-[cyclopropane-1,7'-furo[3,4-d]pyrimidine]-2'-yl)phenyl)urea

C₁₈H₂₁ClN₆O₂

3-Ethyl-1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]phenyl]urea