68654-32-0

Basic information

• Product Name: 4-Chloro-3,4-diMethyl-2-pyrazolin-5-one
• Synonyms: 4-Chloro-3,4-diMethyl-2-pyrazolin-5-one
• CAS NO: 68654-32-0
• Molecular Formula: C₅H₇ClN₂O
• Molecular Weight: 146.57488
• Mol File: 68654-32-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 56 °C
• Appearance: /
• Density: 1.41±0.1 g/cm3(Predicted)
• Solubility: DCM, Ethyl Acetate
• PKA: 11.23±0.60(Predicted)
• CAS DataBase Reference: 4-Chloro-3,4-diMethyl-2-pyrazolin-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-3,4-diMethyl-2-pyrazolin-5-one(68654-32-0)
• EPA Substance Registry System: 4-Chloro-3,4-diMethyl-2-pyrazolin-5-one(68654-32-0)

Safety Data

• Hazardous Substances Data: 68654-32-0(Hazardous Substances Data)

Usage

Description

4-Chloro-3,4-diMethyl-2-pyrazolin-5-one is an organic compound that serves as a crucial intermediate in the synthesis of various chemical compounds. It is characterized by its unique molecular structure, which includes a pyrazolin-5-one ring with a chloro and two methyl groups attached to specific positions.

Uses

Used in Chemical Synthesis:
4-Chloro-3,4-diMethyl-2-pyrazolin-5-one is used as an intermediate in the synthesis of Monobromobimane (M525000), a compound that plays a significant role in the detection and analysis of protein thiols in cells. This application is particularly important in biological and medical research, as it helps scientists understand the distribution and behavior of protein thiols before and after the chemical reduction of disulfides.
Used in Research Applications:
In the field of research, 4-Chloro-3,4-diMethyl-2-pyrazolin-5-one is utilized for its ability to contribute to the development of new compounds and materials. Its unique structure and reactivity make it a valuable component in the synthesis of various organic and inorganic compounds, which can be further explored for potential applications in different industries, such as pharmaceuticals, materials science, and environmental science.

Upstream product

• 6628-22-4 3,4-dimethyl-4-chloro-2-pyrazolin-5-one 
• 609-14-3 2-acetylpropanoic acid ethyl ester 
• 68654-22-8 9,10-dioxa-syn-(methyl,methyl)bimane 
• 4344-72-3 4,5-dimethyl-1,2-dihydro-pyrazol-3-one 

Downstream Products

• 79746-51-3 9,10-dioxa-anti-(methyl,methyl)(methy,bromo)bimane 
• 74235-59-9 2,6-dibromo-3,7-dimethyl-1H,5H pyrazolo<1,2-a>pyrazole-1,5-dione 
• 68654-22-8 9,10-dioxa-syn-(methyl,methyl)bimane 
• 68654-23-9 3,4,7,8-tetramethyl-1,5-diazabicyclo<3.3.0>octa-3,7-diene-2,6-dione 
• 220357-74-4 9,10-dioxa-syn-(methyl,phenyl)(methyl,methyl)bimane 
• 68654-28-4 9,10-dioxa-syn-(methyl,phenyl)bimane 
• 74235-69-1 bis(9,10-dioxa-syn-(methyl,methyleno)(methyl,methyl)bimane) 
• 74235-70-4 9,10-dioxa-syn-(methyl,methyleno)(methyl,methyl)bimane-9,10-dioxa-anti-(methyl,methyleno)(methyl,methyl)bimane 
• 71418-44-5 monobromobimane 
• 68654-25-1 syn-4,6-bis(bromomethyl)-3,7-dimethyl-1,5-diazabicyclo<3.3.0>octa-3,6-diene-2,8-dione 
• 74235-78-2 9,10-dioxa-anti-(bromomethyl,methyl)(methyl,methyl)bimane 
• 74235-89-5 9,10-dioxa-anti-(methyl,methyl)(methyl,phenyl)bimane 
• 74235-81-7 9,10-dioxa-syn-(bromomethyl, methyl)(methyl,phenyl)bimane 
• 6628-22-4 3,4-dimethyl-4-chloro-2-pyrazolin-5-one 

Relevant articles and documents

A β-hairpin peptide with pH-controlled affinity for tumor cells

Considering that the pH in the tumor microenvironment is dysregulated, we designed a β-hairpin peptide (SSRFEWEFESSDPRGDPSSRFEWEFESS). The configuration of the peptide switched from a flexible linear to a rigid loop structure under weakly acidic conditions. The peptide internalized by tumor cells increased significantly under weakly acidic conditions.

Dihalogen and Solvent-Free Preparation of syn- Bimane

Fluorescent bimanes are low molecular weight and low toxicity molecules with applications ranging from biology to LASER dyes. The widespread use of these molecular probes has presumably been stalled by the hazards involved in their current synthetic preparation which involve handling of dangerous halogens like chlorine (gas) and bromine (liq.). The accessibility achieved by the simple and safe dihalogen and solvent-free methodologies described here open the floodgates to additional future practical applications of bimanes.