916766-83-1

Basic information

• Product Name: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
• Synonyms: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole 97%;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole97%;3-(4-(Chloromethyl)
• CAS NO: 916766-83-1
• Molecular Formula: C₁₁H₁₁ClN₂
• Molecular Weight: 206.68
• EINECS: 200-258-5
• Mol File: 916766-83-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 78 °C
• Boiling Point: 343.3 °C at 760 mmHg
• Flash Point: 161.4 °C
• Appearance: /
• Density: 1.17 g/cm³
• Vapor Pressure: 0.000141mmHg at 25°C
• Refractive Index: 1.589
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.53±0.10(Predicted)
• Sensitive: Lachrymatory
• CAS DataBase Reference: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole(916766-83-1)
• EPA Substance Registry System: 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole(916766-83-1)

Safety Data

• Hazard Codes: C
• Hazardous Substances Data: 916766-83-1(Hazardous Substances Data)

Usage

General Description

3-[4-(chloromethyl)phenyl]-1-methyl-1H-pyrazole is a chemical compound with the molecular formula C11H11ClN2. It is a pyrazole derivative containing a chloromethylphenyl group and a methyl group. 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole is often used in research and pharmaceutical applications due to its potential biological activities. Its structure and properties make it suitable for use as a building block in the synthesis of various organic compounds. It is important to handle this chemical with care, as it can be harmful if ingested, inhaled, or absorbed through the skin, and proper safety precautions should be followed when working with it.

InChI:InChI=1/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3

Upstream product

• 873-75-6 4-bromobenzenemethanol 
• 179055-20-0 (4-(1-methyl-1H-pyrazol-3-yl)phenyl)methanol 

Downstream Products

• 1259765-95-1 Triethyl 2-(4-(1-methyl-1H-pyrazol-3-yl)phenyl)ethane-1,1,1-tricarboxylate 

Relevant articles and documents

Synthesis and Pharmacological Evaluation of Heterocyclic Carboxamides: Positive Allosteric Modulators of the M1 Muscarinic Acetylcholine Receptor with Weak Agonist Activity and Diverse Modulatory Profiles

Targeting allosteric sites at M1 muscarinic acetylcholine receptors is a promising strategy for the treatment of Alzheimer's disease. Positive allosteric modulators not only may potentiate binding and/or signaling of the endogenous agonist acetylcholine (ACh) but also may possess direct agonist activity (thus referred to as PAM-agonists). Recent studies suggest that PAM-agonists with robust intrinsic efficacy are more likely to produce adverse effects in vivo. Herein we present the synthesis and pharmacological evaluation of a series of pyrrole-3-carboxamides with a diverse range of allosteric profiles. We proposed structural modifications at top, core, or pendant moieties of a prototypical molecule. Although generally there was a correlation between the degree of agonist activity and the modulatory potency of the PAMs, some derivatives displayed weak intrinsic efficacy yet maintained strong allosteric modulation. We also identified molecules with the ability to potentiate mainly the affinity or both affinity and efficacy of ACh.