3-Carboxybenzeneboronic acid, pinacol ester

3-Carboxybenzeneboronic acid, pinacol ester - Names and Identifiers

Name	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Synonyms	2-dioxaborolan-2-yl)benzoic acid 3-Carboxyphenylboronic acid pinacol ester 3-CARBOXYPHENYLBORONIC ACID, PINACOL ESTER 3-Carboxybenzeneboronic acid, pinacol ester (3-Carboxyphenyl)Boronic Acid, Pinacol Ester 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid3-Carboxyphenylboronic acid pinacol ester
CAS	269409-73-6
InChI	InChI=1/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)

3-Carboxybenzeneboronic acid, pinacol ester - Physico-chemical Properties

Molecular Formula	C13H17BO4
Molar Mass	248.08
Density	1.15±0.1 g/cm3(Predicted)
Melting Point	206-211 °C
Boling Point	395.1±25.0 °C(Predicted)
Flash Point	192.8°C
Water Solubility	Insoluble
Vapor Presure	5.95E-07mmHg at 25°C
Appearance	Solid
Color	White
pKa	4.20±0.10(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.521
MDL	MFCD03411930

3-Carboxybenzeneboronic acid, pinacol ester - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
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.
WGK Germany	3
TSCA	No
HS Code	29310099

3-Carboxybenzeneboronic acid, pinacol ester - Introduction

3-(4,4, 5,5-tetramethyl-1, 3,2-dioxaborolan-2-yl)benzoic acid is an organic compound with the chemical formula C13H17BO4. The following is a description of the properties, uses, preparation and safety information of this compound:

Nature:
-Appearance: Colorless or yellowish solid
-Solubility: Can be dissolved in organic solvents such as ethanol, dimethyl Thione and dichloromethane
-Melting point: approximately 84-86°C

Use:
- 3-(4,4, 5,5-tetramethyl-1, 3,2-dioxaborolan-2-yl)benzoic acid can be used as an important intermediate compound in organic synthesis.
-It can be used to synthesize biologically active compounds, such as drugs, ligands and heterocyclic compounds.

Method: The synthesis of
- 3-(4,4, 5,5-tetramethyl-1, 3,2-dioxaborolan-2-yl)benzoic acid can be achieved by the esterification reaction of Phenylboronic acid pinacol Ester and anthranilic acid.
-Specific synthetic methods can be found in the organic synthesis literature.

Safety Information:
- 3-(4,4, 5,5-tetramethyl-1, 3,2-dioxaborolan-2-yl)benzoic acid has limited toxicity and risk data, therefore, appropriate laboratory safety measures need to be taken during use and handling.
-Avoid contact with oxidizing agents, strong acids or strong bases during use and storage.
-For safe handling and handling of chemicals, please follow relevant safety regulations and guidelines.

Last Update：2024-04-09 20:49:11