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1H-Pyrazole-4-Carbonyl Chloride, 3-Methyl-1-(2-Propenyl)- (9Ci) CAS NO 113100-63-3


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CAS No.:113100-63-3

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

1H-Pyrazole-4-Carbonyl Chloride, 3-Methyl-1-(2-Propenyl)- (9Ci) is a versatile and reactive chemical intermediate, specifically an acyl chloride derivative of a substituted pyrazole. Its core value proposition lies in its role as a key building block for the synthesis of more complex molecules, enabling the introduction of the pyrazole-carbonyl moiety into target structures. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical industries, where it is used to create novel active ingredients and fine chemicals.

Application

  • Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting neurological or metabolic disorders.
  • Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the pyrazole core.
  • Ligand and Catalyst Development: Acts as a starting material for creating specialized ligands used in coordination chemistry and homogeneous catalysis.
  • Material Science Research: Employed in the synthesis of functionalized polymers or organic electronic materials that incorporate heterocyclic units.
  • Custom Synthesis and Contract Manufacturing: A valuable reagent for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing bespoke compounds for clients.
  • Bioconjugation and Probe Development: The reactive acyl chloride group can be used to attach the pyrazole moiety to proteins, peptides, or other biomolecules for research and diagnostic applications.

Basic Information

Product Name 1H-Pyrazole-4-Carbonyl Chloride, 3-Methyl-1-(2-Propenyl)- (9Ci)
CAS No. 113100-63-3
Molecular Formula C8H9ClN2O
Molecular Weight 184.62 g/mol
Synonyms 3-Methyl-1-(2-propen-1-yl)-1H-pyrazole-4-carbonyl chloride; 1-Allyl-3-methyl-1H-pyrazole-4-carbonyl chloride; 1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-(2-propenyl)-; 3-Methyl-1-allylpyrazole-4-carbonyl chloride; Allyl 3-methylpyrazole-4-carboxylate chloride; 1-Allyl-3-methyl-4-pyrazolecarbonyl chloride
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Quality Control

Every batch of 1H-Pyrazole-4-Carbonyl Chloride, 3-Methyl-1-(2-Propenyl)- undergoes rigorous analytical testing to ensure identity, purity, and consistency. Our quality management system is designed to meet the stringent requirements of cGMP and ISO standards where applicable. A comprehensive Certificate of Analysis (COA) detailing purity (typically by HPLC/NMR), assay, and impurity profiles is provided with each shipment to guarantee traceability and support your regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition. Keep away from heat, sparks, open flames, and incompatible materials such as strong bases, alcohols, and amines.

Specification

Item Specification
Appearance White to off-white crystalline powder or solid
Identification (IR) Conforms to structure
Identification (NMR) Conforms to structure
Purity (HPLC) ≥ 97.0%
Water Content (KF) ≤ 0.5%
Residue on Ignition ≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.

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