2-Chloro-4-cyanophenylboronic Acid Pinacol Ester

Base Information

• Chemical Name: 2-Chloro-4-cyanophenylboronic Acid Pinacol Ester
• CAS No.: 945391-06-0
• Molecular Formula: C13H15BClNO2
• Molecular Weight: 263.532
• Hs Code.: 2934999090
• Mol file: 945391-06-0.mol

Synonyms:3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;

Chemical Property of 2-Chloro-4-cyanophenylboronic Acid Pinacol Ester

Chemical Property:

• Melting Point: 137.6-143.2 °C
• Boiling Point: 362.8±32.0 °C(Predicted)
• PSA: 42.25000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 2.51088
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-cyanophenylboronic acid, pinacol ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Chloro-4-cyanophenylboronic Acid Pinacol Ester

There total 4 articles about 2-Chloro-4-cyanophenylboronic 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: 80.0%

4‐bromo‐3‐chlorobenzonitrile (57418-97-0) + bis(pinacol)diborane (73183-34-3) → 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (945391-06-0)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃; for 8h; Inert atmosphere;

Reference yield: 20.0%

4-bromo-2-chlorobenzonitrile (154607-01-9) + bis(pinacol)diborane (73183-34-3) → 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (945391-06-0)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 12h; Inert atmosphere;

Reference yield:

4-amino-3-chlorobenzonitrile (21803-75-8) → 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (945391-06-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq. HCl; NaNO₂ / H₂O / 0.5 h / 0 °C

1.2: NaI / H₂O / 0.25 h

2.1: 88 percent / KOAc / PdCl₂(dppf) / dimethylsulfoxide / 48 h / 90 °C

With hydrogenchloride; potassium acetate; sodium nitrite; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In water; dimethyl sulfoxide;

DOI:10.1021/jo070427p

upstream raw materials:

4-amino-3-chlorobenzonitrile

4-bromo-2-chlorobenzonitrile

bis(pinacol)diborane

4‐bromo‐3‐chlorobenzonitrile

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