221006-63-9

Basic information

• Product Name: Methyl 3-borono-4-methoxybenzoate
• Synonyms: 2-Methoxy-5-(methoxycarbonyl)benzeneboronic acid;Methyl 3-borono-4-methoxybenzoate;2-Methoxy-5-(methoxycarbonyl)phenylboronic acid;2-Methoxy-5-methoxycarbonylphenylboronic acid
• CAS NO: 221006-63-9
• Molecular Formula: C₉H₁₁BO₅
• Molecular Weight: 209.99
• Product Categories: blocks;BoronicAcids;Carboxes
• Mol File: 221006-63-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 408.263 °C at 760 mmHg
• Flash Point: 200.71 °C
• Appearance: /
• Density: 1.27 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 7.76±0.58(Predicted)
• CAS DataBase Reference: Methyl 3-borono-4-methoxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 3-borono-4-methoxybenzoate(221006-63-9)
• EPA Substance Registry System: Methyl 3-borono-4-methoxybenzoate(221006-63-9)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 221006-63-9(Hazardous Substances Data)

Usage

Uses

Methyl 3-Borono-4-methoxybenzoate is used in the preparation of biarylpropionic acid derivatives as cathepsin A inhibitors for use as pharmaceuticals.

InChI:InChI=1/C9H11BO5/c1-14-8-4-3-6(9(11)15-2)5-7(8)10(12)13/h3-5,12-13H,1-2H3

Upstream product

• 67-56-1 methanol 
• 127972-02-5 5-formyl-2-methoxyphenyl boronic acid 

Downstream Products

• 1454296-45-7 methyl 4-methoxy-3-(6-(trifluoromethyl)-1H-indazol-4-yl)benzoate 
• 868265-69-4 4-methoxy-3-thiophen-2-yl-benzoic acid 
• 1349847-37-5 C₁₄H₁₄O₃S 

Relevant articles and documents

Electro-Oxidative Selective Esterification of Methylarenes and Benzaldehydes

A mild and green electro-oxidative protocol to construct aromatic esters from methylarenes and alcohols is herein reported. Importantly, the reaction is free of metals, chemical oxidants, bases, acids, and operates at room temperature. Moreover, the design of the electrolyte was found critical for the oxidation state and structure of the coupling products, a rarely documented effect. This electro-oxidative coupling process also displays exceptional tolerance of many fragile easily oxidized functional groups such as hydroxy, aldehyde, olefin, alkyne, as well as neighboring benzylic positions. The enantiomeric enrichment of some chiral alcohols is moreover preserved during this electro-oxidative coupling reaction, making it overall a promising synthetic tool.