3-CHLORO-2-METHOXYPHENYLBORONIC ACID

Base Information

• Chemical Name: 3-CHLORO-2-METHOXYPHENYLBORONIC ACID
• CAS No.: 179898-50-1
• Molecular Formula: C7H8 B Cl O3
• Molecular Weight: 186.403
• Hs Code.: 2931900090
• Mol file: 179898-50-1.mol

Synonyms:3-Chloro-2-methoxyphenylboronicacid

Chemical Property of 3-CHLORO-2-METHOXYPHENYLBORONIC ACID

Chemical Property:

• Boiling Point: 356.9±52.0 °C(Predicted)
• PKA: 7.58±0.58(Predicted)
• PSA: 49.69000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 0.02840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-2-methoxyphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Chloro-2-methoxyphenylboronic Acid is a reagent used in the synthesis of a selective 17β-?HSD1 inhibitor in the therapeutic treatment of endometriosis.

Technology Process of 3-CHLORO-2-METHOXYPHENYLBORONIC ACID

There total 4 articles about 3-CHLORO-2-METHOXYPHENYLBORONIC 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: 91.0%

1-bromo-2-methoxy-3-chlorobenzene (174913-10-1) + Triisopropyl borate (5419-55-6) → (3-chloro-2-methoxyphenyl)boronic acid (179898-50-1)

Guidance literature:

1-bromo-3-chloro-2-methoxybenzene; With tert.-butyl lithium; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

Triisopropyl borate; In tetrahydrofuran; for 3h;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 1.5h;

Reference yield: 91.0%

1-bromo-2-methoxy-3-chlorobenzene (174913-10-1) + Triisopropyl borate (5419-55-6) + water (7732-18-5) → (3-chloro-2-methoxyphenyl)boronic acid (179898-50-1)

Guidance literature:

1-bromo-3-chloro-2-methoxybenzene; With tert.-butyl lithium; In tetrahydrofuran; at -78 ℃; for 1h;

Triisopropyl borate; In tetrahydrofuran; at 20 ℃; for 3h;

water; With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 1.5h;

Reference yield:

1-bromo-2-methoxy-3-chlorobenzene (174913-10-1) + Trimethyl borate (121-43-7,63156-11-6) → (3-chloro-2-methoxyphenyl)boronic acid (179898-50-1)

Guidance literature:

With n-butyllithium; In (5-fluoro-2-methoxyphenyl)boronic acid;

upstream raw materials:

1-bromo-2-methoxy-3-chlorobenzene

Trimethyl borate

methyl 2-bromo-5-nitrobenzoate

5-chloro-2-methoxyphenyl boronic acid

Downstream raw materials:

(3-chloro-2-hydroxyphenyl)boronic acid

Refernces

• 1、 -. "COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME". Paragraph 0157-0161. . Retrieved 2020/06/02.
• 2、 -. "Novel hetero-cyclic compound and organic light emitting device comprising the same". Paragraph 0203; 0204; 0205. . Retrieved 2018/04/03.