3-CHLORO-5-METHYLPHENYLBORONIC ACID

Base Information

• Chemical Name: 3-CHLORO-5-METHYLPHENYLBORONIC ACID
• CAS No.: 913836-14-3
• Molecular Formula: C7H8BClO2
• Molecular Weight: 170.403
• Hs Code.: 2931900090
• Mol file: 913836-14-3.mol

Synonyms:Boronicacid, (3-chloro-5-methylphenyl)- (9CI);3-Chloro-5-methylphenylboronic acid;

Chemical Property of 3-CHLORO-5-METHYLPHENYLBORONIC ACID

Chemical Property:

• Vapor Pressure: 4.43E-05mmHg at 25°C
• Melting Point: 235-238 °C
• Refractive Index: 1.549
• Boiling Point: 336.3 °C at 760 mmHg
• Flash Point: 157.2 °C
• PSA: 40.46000
• Density: 1.26 g/cm³
• LogP: 0.32820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-5-methylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-CHLORO-5-METHYLPHENYLBORONIC ACID

There total 2 articles about 3-CHLORO-5-METHYLPHENYLBORONIC 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:

1-chloro-3-methylbenzene (108-41-8) → (3-chloro-5-methylphenyl)boronic acid (913836-14-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 4,4'-di-tert-butyl-2,2'-bipyridine / [Ir(COD)(OMe)]2 / tetrahydrofuran / 16 h / 80 °C

2.1: sodium periodate / tetrahydrofuran; H₂O / 0.25 h

2.2: HCl / H₂O; tetrahydrofuran / 4 h

With sodium periodate; 4,4'-di-tert-butyl-2,2'-bipyridine; [Ir(COD)(OMe)]2; In tetrahydrofuran; water;

DOI:10.1021/ol062903o

Reference yield:

2-(3-chloro-5-methylphenyl)-4,4,5,5-tetra methyl-1,3,2-dioxaborolane (502630-89-9) → (3-chloro-5-methylphenyl)boronic acid (913836-14-3)

Guidance literature:

2-(3-chloro-5-methylphenyl)-4,4,5,5-tetra methyl-1,3,2-dioxaborolane; With sodium periodate; In tetrahydrofuran; water; for 0.25h;

With hydrogenchloride; In tetrahydrofuran; water; for 4h;

DOI:10.1021/ol062903o

Reference yield: 96.0%

naphthalene-1,8-diamine (479-27-6) + (3-chloro-5-methylphenyl)boronic acid (913836-14-3) → 2-(3-chloro-5-methylphenyl)-2,3-dihydro-1H-naphtho[1,8-de] [1,3,2] diazaborinine

Guidance literature:

In water; at 60 ℃; for 2h; Green chemistry;

DOI:10.1016/j.tet.2021.132205

upstream raw materials:

2-(3-chloro-5-methylphenyl)-4,4,5,5-tetra methyl-1,3,2-dioxaborolane

1-chloro-3-methylbenzene

Downstream raw materials:

5-(3-chloro-5-methylphenyl)-2-(1-methyl-1H-pyrazol-4-yl)nicotinic acid

C₁₆H₁₄ClN₃

6-(3-chloro-5-methylphenyl)-N-(3,4-dimethoxybenzyl)-3-morpholin-4-ylpyridazine-4-carboxamide

1-(2-(3-chloro-5-methylphenyl)-4-methyl-6-(3-phenoxyphenyl)pyrimidin-5-yl)ethanone

Refernces