4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID

4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID - Names and Identifiers

Name	4-(N,N-Dimethylaminocarbonyl)phenylboronic acid
Synonyms	N,N-DIMETHYL 4-BORONOBENZAMIDE 4-(Dimethylcarbamoyl)phenylboronic acid 4-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID [4-(dimethylcarbamoyl)phenyl]boronic acid 4-(N,N-DIMETHYLCARBAMOYL)PHENYLBORONIC ACID 4-[(DIMETHYLAMINO)CARBONYL]PHENYLBORONIC ACID 4-(DIMETHYLAMINO)-CARBONYL-BENZENEBORONIC ACID 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID 4-(N,N-DIMENTHYLAMINOCARBONY)PHENYLNORORNIC ACID 4-(N,N-Dimethylaminocarbonyl)Benzene Boronic Acid 4-(N,N-DIMETHYLAMINOCARBONYL)BENZENE BORONIC ACID
CAS	405520-68-5
InChI	InChI=1/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3
InChIKey	QJYYVSIRDJVQJW-UHFFFAOYSA-N

4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID - Physico-chemical Properties

Molecular Formula	C9H12BNO3
Molar Mass	193.01
Density	1.20±0.1 g/cm3(Predicted)
Melting Point	141-145 °C
Boling Point	407.4±47.0 °C(Predicted)
Flash Point	200.2°C
Water Solubility	Slightly soluble in water.
Vapor Presure	2.27E-07mmHg at 25°C
Appearance	Solid
Color	White to Almost white
pKa	7.76±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.553
MDL	MFCD02258943
Use	Reactant for preparation of: 1.Selective glucocorticoid receptor agonists. 2.(thienopyridine)carboxamides as checkpoint 1 kinase (CHK1) inhibitors. 3. [(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones as ATP-competitive inhibitors of the mamm

4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany	1
Hazard Note	Irritant/Keep Cold

4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID - Introduction

4-(N,N-Dimethylaminocarbonyl)phenylboronic acid is an organic compound with the chemical formula C10H14BNO3.

Nature:
-Appearance: white crystalline solid or powdery substance;
-Melting point: 144-146°C;
-Solubility: Soluble in most organic solvents.

Use:
-As an intermediate in organic synthesis, used in the preparation of other organic compounds;
-As a reactant or catalyst in metal-catalyzed reactions.

Preparation Method:
4-(N,N-Dimethylaminocarbonyl)phenylboronic acid can be prepared by the following steps:
1. Preparation of N,N-dimethylcarbamate (dimethylaminomethyl formate);
2. N,N-dimethylcarbamate reacts with phenylboronic acid under appropriate conditions to generate 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid.

Safety Information:
- 4-(N,N-Dimethylaminocarbonyl) The specific hazards and safety information of phenylboronic acid need to refer to relevant safety data tables;
-in use need to wear appropriate protective equipment, such as chemical goggles, gloves, etc., and maintain a good ventilation environment;
-Avoid contact with skin, eyes and respiratory tract;
-storage should be sealed, away from heat and fire sources, to avoid contact with oxidants and acidic substances.

Last Update：2024-04-10 22:29:15