{3-[(1-methylethoxy)carbonyl]phenyl}boronic acid

{3-[(1-methylethoxy)carbonyl]phenyl}boronic acid - Names and Identifiers

Name	3-Borono-Benzoic acid 1-(1-methylethyl) ester
Synonyms	ISOPROPYL 3-BORONOBENZOATE 4-(2H-tetrazol-5-yl)benzaldehyde 3-Isopropoxycarbonylphenylboronic acid 3-(ISOPROPYLCARBONYL)PHENYLBORONIC ACID 3-(ISOPROPOXYCARBONYL)PHENYLBORONIC ACID M-(ISOPROPOXYCARBONYL)PHENYLBORONIC ACID 3-(ISOPROPOXYCARBONYL)BENZENEBORONIC ACID 3-Borono-Benzoic acid 1-(1-methylethyl) ester {3-[(1-methylethoxy)carbonyl]phenyl}boronic acid
CAS	342002-80-6
InChI	InChI=1/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)

{3-[(1-methylethoxy)carbonyl]phenyl}boronic acid - Physico-chemical Properties

Molecular Formula	C10H13BO4
Molar Mass	208.02
Density	0.912
Melting Point	153-154
Boling Point	370.7±44.0 °C(Predicted)
Flash Point	42 °C
Vapor Presure	6.71E-07mmHg at 25°C
pKa	7.81±0.10(Predicted)
Storage Condition	Sealed in dry,2-8°C
Refractive Index	1.408-1.41

{3-[(1-methylethoxy)carbonyl]phenyl}boronic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R10 - Flammable
Safety Description	S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition.
HS Code	29310099
Hazard Class	IRRITANT

{3-[(1-methylethoxy)carbonyl]phenyl}boronic acid - Introduction

3-Borono-Benzoic acid 1-(1-methyllethyl) ester is an organic compound with the chemical formula C11H15BO4.

Its properties are as follows:
Appearance: colorless solid
Melting point: about 75-78 degrees Celsius
Boiling point: about 352 degrees Celsius
Density: about 1.149g/cm³
Solubility: Soluble in organic solvents such as ether, ethanol, dimethylformamide, etc.

Its purpose:
3-Borono-Benzoic acid 1-(1-methyllethyl) ester can be used as an intermediate in organic synthesis. It can be used as a reagent containing boron functional groups and can be used in the preparation of phenylboronic acid ester compounds in organic synthesis, such as phenylboronic acid pyrrolidone ester. These compounds have a wide range of applications in the fields of pharmaceuticals, pesticides and materials science.

Preparation Method:
3-Borono-Benzoic acid 1-(1-methylethyl) ester can be prepared by reacting phenylboronic acid with 3-chloro-2-methylpropyl sodium chloride, and then esterifying with isopropyl carbonate. The specific synthesis method involves the technology of organic synthetic chemistry and needs to be carried out under appropriate experimental conditions.

Safety Information:
3-Borono-Benzoic acid 1-(1-methylethyl) ester No information regarding its harmfulness and toxicity has been reported at this time. However, as an organic compound, it may still cause some harm to the human body. During use and operation, it is necessary to observe safe operating procedures and avoid inhalation, contact with skin or entry into the digestive tract. Wear appropriate personal protective equipment such as lab gloves, goggles, etc. In case of contact, clean the affected area immediately and seek medical advice.

Last Update：2024-04-10 22:29:15