3-Methyl-1-butylboronia acid

3-Methyl-1-butylboronia acid - Names and Identifiers

Name	(3-methylbutyl)boronic acid
Synonyms	Isopentylboronicaci Isopentylboronic Acid (3-METHYLBUTYL)BORONIC ACID (3-methylbutyl)boronic acid 3-Methyl-1-butylboronia acid 3-METHYL-1-BUTYLBORONIC ACID isopentylboronic acid(WXC03330) Boronic acid, B-(3-methylbutyl)-
CAS	98139-72-1
InChI	InChI=1/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3

3-Methyl-1-butylboronia acid - Physico-chemical Properties

Molecular Formula	C5H13BO2
Molar Mass	115.97
Density	0.903±0.06 g/cm3(Predicted)
Melting Point	80-91°C
Boling Point	199.7±23.0 °C(Predicted)
Flash Point	74.6°C
Vapor Presure	0.0844mmHg at 25°C
pKa	10.37±0.43(Predicted)
Storage Condition	Inert atmosphere,Store in freezer, under -20°C
Refractive Index	1.407

3-Methyl-1-butylboronia acid - Risk and Safety

Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29319090

3-Methyl-1-butylboronia acid - Introduction

(3-methylbutyl)boronic acid is an organic boron compound whose chemical formula is C8H17BO2. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance:(3-methylbutyl)boronic acid is a colorless or white solid.
-melting point: its melting point range is generally 60-70 ℃.
-Solubility: It is insoluble in water, but can be dissolved in organic solvents, such as chloroform, methanol and dichloromethane.

Use:
-Organic synthesis:(3-methylbutyl)boronic acid is an important organic synthesis intermediate, often used to introduce alkyl boronic acid groups in synthetic compounds. It can be used as a substrate for palladium-catalyzed coupling reactions such as Suzuki reaction and Negishi reaction.
-Drug synthesis: It has a wide range of applications in drug synthesis, and can be used to synthesize anti-cancer drugs, antiviral drugs and antibacterial drugs.

Preparation Method:
(3-methylbutyl)boronic acid can be prepared by the following methods:
1. In the presence of magnesium hydroxide, 3-methyl -1-butanol is reacted with ethyl borate.
2. can use Grignard reagent (Grignard reagent) or lithium compound in the presence of boric acid and 3-methyl -1-butyl halide reaction preparation.

Safety Information:
(3-methylbutyl)boronic acid is a relatively safe compound under normal laboratory conditions. However, in case of contact with eyes, skin or inhalation of gas, rinse immediately with plenty of water and seek medical assistance. In addition, good laboratory safety practices should be observed during operation, including wearing appropriate personal protective equipment, such as laboratory gloves and protective glasses.

Last Update：2024-04-09 20:52:54