Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI)

Base Information

• Chemical Name: Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI)
• CAS No.: 677777-45-6
• Molecular Formula: C8H8BNO3
• Molecular Weight: 176.967
• Hs Code.: 2931900090
• Mol file: 677777-45-6.mol

Synonyms:Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI)

Chemical Property of Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI)

Chemical Property:

• Boiling Point: 417.6±55.0 °C(Predicted)
• PKA: 6.90±0.10(Predicted)
• PSA: 73.48000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: -0.75332
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-Cyano-3-methoxyphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI)

There total 1 articles about Boronic acid, (4-cyano-3-methoxyphenyl)- (9CI) 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: 55.0%

4-bromo-2-methoxybenzonitrile (330793-38-9) → 4-cyano-3-methoxyphenylboronic acid (677777-45-6)

Guidance literature:

4-bromo-2-methoxybenzonitrile; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; at -78 ℃; for 0.5h; Cooling with acetone-dry ice;

With hydrogenchloride; In tetrahydrofuran; water; for 1h;

Reference yield: 54.0%

4-cyano-3-methoxyphenylboronic acid (677777-45-6) + 3-bromo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine (226085-18-3) → 2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitnle (866545-79-1) + 2-methoxy-4-[1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile (866546-02-3)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 160 ℃; for 0.166667h; Microwave irradiation;

Reference yield: 52.0%

4-cyano-3-methoxyphenylboronic acid (677777-45-6) + carbon monoxide (201230-82-2) + triethylamine (121-44-8) → 4-cyano-N,N-diethyl-3-methoxybenzamide

Guidance literature:

With copper(l) iodide; oxygen; palladium dichloride; In acetonitrile; at 100 ℃; for 12h; under 1520.1 Torr; Autoclave; High pressure;

DOI:10.1021/acs.joc.1c00345

upstream raw materials:

4-bromo-2-methoxybenzonitrile

Downstream raw materials:

2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitnle

2-methoxy-4-[1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzonitrile

4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxy-benzonitrile

C₁₉H₁₇N₃O₃

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