4-(cyanoMethylcarbaMoyl)phenylboronic acid

Base Information

• Chemical Name: 4-(cyanoMethylcarbaMoyl)phenylboronic acid
• CAS No.: 1056636-11-3
• Molecular Formula: C9H9BN2O3
• Molecular Weight: 203.993
• Mol file: 1056636-11-3.mol

Synonyms:4-(cyanoMethylcarbaMoyl)phenylboronic acid;B-[4-[[(Cyanomethyl)amino]carbonyl]phenyl]boronic acid

Chemical Property of 4-(cyanoMethylcarbaMoyl)phenylboronic acid

Chemical Property:

• PKA: 8.02±0.16(Predicted)
• PSA: 93.35000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: -0.98932
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

(4-((Cyanomethyl)carbamoyl)phenyl)boronicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(cyanoMethylcarbaMoyl)phenylboronic acid

There total 1 articles about 4-(cyanoMethylcarbaMoyl)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: 87.0%

4-carboxyphenylboronic acid (14047-29-1) + 2-aminoacetonitrile hydrochloride (6011-14-9) → {4-[(cyanomethyl)carbamoyl]phenyl}boronic acid (1056636-11-3)

Guidance literature:

4-carboxyphenylboronic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 40 ℃; for 3.5h;

2-aminoacetonitrile hydrochloride; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

Reference yield: 33.0%

2,6-Dichloropyrimidine (3934-20-1) + {4-[(cyanomethyl)carbamoyl]phenyl}boronic acid (1056636-11-3) → 4-(2-chloropyrimidin-4-yl)-N-(cyanomethyl)benzamide (1056636-12-4)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In propan-1-ol; water; toluene; at 90 ℃; for 24h;

Reference yield:

{4-[(cyanomethyl)carbamoyl]phenyl}boronic acid (1056636-11-3) → 4-(5-bromo-2-(4-morpholinophenylamino)pyrimidin-4-yl)-N-(cyanomethyl)benzamide (1056635-71-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene / 80 °C

2: diisopropylamine / 1,4-dioxane / Heating / reflux

With potassium carbonate; diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; toluene; 1: Suzuki Coupling;

upstream raw materials:

4-carboxyphenylboronic acid

2-aminoacetonitrile hydrochloride

Downstream raw materials:

4-(2-chloropyrimidin-4-yl)-N-(cyanomethyl)benzamide

4-(5-bromo-2-(4-morpholinophenylamino)pyrimidin-4-yl)-N-(cyanomethyl)benzamide

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