2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE

Base Information

• Chemical Name: 2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE
• CAS No.: 850568-67-1
• Molecular Formula: C10H12BNO2
• Molecular Weight: 189.022
• Hs Code.: 2931900090
• Mol file: 850568-67-1.mol

Synonyms:Boronicacid, [4-(1-cyano-1-methylethyl)phenyl]- (9CI);4-(2-Cyanopropan-2-yl)benzeneboronic acid;[4-(2-Cyanopropan-2-yl)phenyl]boronicacid;2-(4-Boronophenyl)-2-methylpropanenitrile;

Chemical Property of 2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE

Chemical Property:

• Vapor Pressure: 3.95E-06mmHg at 25°C
• Melting Point: 146-148 °C
• Refractive Index: 1.532
• Boiling Point: 370 °C at 760 mmHg
• PKA: 8.34±0.16(Predicted)
• Flash Point: 177.6 °C
• PSA: 64.25000
• Density: 1.13 g/cm³
• LogP: 0.16758
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Soluble in water. [9 g/100 mL (20°C)]

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Cyanopropan-2-yl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE

There total 1 articles about 2-(4-BORONOPHENYL)-2-METHYLPROPANENITRILE 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:

Trimethyl borate (121-43-7,63156-11-6) + 2-(4-bromophenyl)-2-methylpropanenitrile (101184-73-0) → [4-(1-cyano-1-methylethyl)phenyl]boronic acid (850568-67-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 - 0 ℃;

DOI:10.1021/ml400045j

Reference yield: 99.0%

[4-(1-cyano-1-methylethyl)phenyl]boronic acid (850568-67-1) + phenylmagnesium chloride (100-59-4) + 4-bromo-benzaldehyde (1122-91-4) → 1-[4'-(2-cyanoprop-2-yl)biphenyl-4-yl]-1-phenylmethanol

Guidance literature:

phenylmagnesium chloride; 4-bromo-benzaldehyde; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

With water; In tetrahydrofuran; at 20 ℃; for 0.166667h; Inert atmosphere;

[4-(1-cyano-1-methylethyl)phenyl]boronic acid; With dichloro bis(acetonitrile) palladium(II); 1,1'-bis(di-tertbutylphosphino)ferrocene; In tetrahydrofuran; at 60 ℃; for 20h; Inert atmosphere;

DOI:10.1002/adsc.201801000

Reference yield: 95.0%

[4-(1-cyano-1-methylethyl)phenyl]boronic acid (850568-67-1) + diethyl 2-bromocyclobuten-1-yl phosphate → diethyl 2-[4-(2-cyanoprop-2-yl)phenyl]cyclobuten-1-yl phosphate

Guidance literature:

With potassium phosphate; palladium diacetate; ruphos; In toluene; at 60 ℃; for 18h;

DOI:10.1002/ejoc.201801522

upstream raw materials:

Trimethyl borate

2-(4-bromophenyl)-2-methylpropanenitrile

Downstream raw materials:

2-methyl-2-{4-[3-((R)-1-naphthalen-1-yl-ethylamino)-cyclohexyl]-phenyl}-propionitrile

C₂₃H₂₁N₅

2-(4-(2-chloro-5-methylpyrimidin-4-yl)phenyl)-2-methylpropanenitrile

2-methyl-2-(4-(5-methyl-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)phenyl)propanenitrile

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