126208-61-5

126208-61-5 - Names and Identifiers

Name	5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE
Synonyms	5-tert-butyl-2-phenyl-3-pyrazolamine 5-Amino-3-tert-butyl-1-phenylpyrazole 3-TERT-BUTYL-1-PHENYL-1H-PYRAZOL-5-AMINE 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamin 5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YLAMINE 1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-phenyl-
CAS	126208-61-5
InChI	InChI=1/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3

126208-61-5 - Physico-chemical Properties

Molecular Formula	C13H17N3
Molar Mass	215.29
Density	1.07±0.1 g/cm3(Predicted)
Melting Point	59-61°C
Boling Point	356.3±30.0 °C(Predicted)
Flash Point	169.3°C
Vapor Presure	2.95E-05mmHg at 25°C
pKa	3.96±0.10(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.577

126208-61-5 - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	22 - Harmful if swallowed

126208-61-5 - Introduction

3-tert-butyl-1-phenyl-1H-pyrazol-5-amine, also known as TBPA, is an organic compound. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: White crystalline solid
-Molecular formula: C14H19N3
-Molecular weight: 229.32
-Melting point: 60-62 ℃
-Boiling point: 350.3 ℃
-Solubility: Soluble in some organic solvents such as alcohols and ethers, slightly soluble in water

Use:
TBPA is an important aromatic amine compound with a wide range of applications:
-as an intermediate in organic synthesis: TBPA can be used as an intermediate in the preparation of other organic compounds, such as dyes, pesticides, pharmaceuticals and synthetic rubber.
-As a catalyst: TBPA can be used as a chemical catalyst to participate in various organic reactions such as esterification, ketal, etc.
-As a disease research tool: TBPA is used as an organic fluorescent probe in biomedical research to detect cell membranes, enzyme activity and microenvironment.

Preparation Method:
The preparation of TBPA is generally accomplished in a two-step reaction:
1. Pyrazolation: The reaction of benzoic acid with ethanolamine produces a pyrazole compound.
2. tert-Butylation: TBPA was prepared by esterification of the obtained pyrazole compound with tert-butanol.

Safety Information:
- TBPA is stable at room temperature, but it can decompose at high temperature and open flame to produce harmful gases.
-Avoid inhalation, ingestion or skin contact.
-Wear appropriate personal protective equipment such as protective gloves and eye protection when operating.
-Avoid contact with oxidants and strong acids during storage, and store in a dry, cool, well-ventilated place.
-In case of accidental contact, rinse immediately with plenty of water and seek medical help.

Please note that the use and handling of chemical substances should follow the corresponding safety procedures, and assess the risks according to the specific situation.

Last Update：2024-04-09 15:17:51