4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98

Base Information

• Chemical Name: 4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98
• CAS No.: 913835-76-4
• Molecular Formula: C₇H₆BClO₃
• Molecular Weight: 184.387
• Hs Code.: 2931900090
• Mol file: 913835-76-4.mol

Synonyms:Boronicacid, (4-chloro-2-formylphenyl)- (9CI);4-Chloro-2-formylphenylboronic acid;

Chemical Property of 4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98

Chemical Property:

• Vapor Pressure: 3.48E-06mmHg at 25°C
• Melting Point: 132-134°C
• Refractive Index: 1.568
• Boiling Point: 371.8 °C at 760 mmHg
• PKA: 8.05±0.53(Predicted)
• Flash Point: 178.6 °C
• PSA: 57.53000
• Density: 1.4 g/cm³
• LogP: -0.16770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-formylphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: suzuki reaction 4-Chloro-2-formylphenylboronic Acid is a reagent in the synthesis of tetracyclic indole-based macrocycles as finger loop inhibitors of the HCV NS5b polymerase.

Technology Process of 4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98

There total 4 articles about 4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98 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:

C13H16BClO3 (1132669-91-0) → 4-chloro-2-aldehyde phenylboronic acid (913835-76-4)

Guidance literature:

C₁₃H₁₆BClO₃; With sodium periodate; In tetrahydrofuran; water; at 20 ℃; for 0.333333h;

With hydrogenchloride; In tetrahydrofuran; water; for 2h;

DOI:10.1016/j.bmcl.2021.127956

Reference yield:

4-chloro-2-methylphenylboronic acid (209919-30-2) → 4-chloro-2-aldehyde phenylboronic acid (913835-76-4)

Guidance literature:

With dipotassium peroxodisulfate; tetrabutylammomium bromide; iron(II) chloride; In water; acetonitrile; at 80 ℃;

Reference yield:

2-bromo-5-chlorobenzaldehyde (174265-12-4) → 4-chloro-2-aldehyde phenylboronic acid (913835-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium acetate / 1,4-dioxane / 8 h / 90 °C / Inert atmosphere

2.1: sodium periodate / tetrahydrofuran; water / 0.33 h / 20 °C

2.2: 2 h

With sodium periodate; potassium acetate; In tetrahydrofuran; 1,4-dioxane; water;

DOI:10.1016/j.bmcl.2021.127956

upstream raw materials:

2-bromo-5-chlorobenzaldehyde

Triisopropyl borate

4-chloro-2-methylphenylboronic acid

C₁₃H₁₆BClO₃

Downstream raw materials:

C₂₉H₂₀ClO₂P

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