2-CHLORO-5-FLUOROPYRIMIDIN-4-ONE

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Table of Contents

1. Product Information & Specifications

Basic Parameters

Parameter Specification
CAS Number 874285-61-3
Molecular Formula C4HClFN2O
Molecular Weight 146.52 g/mol
Appearance White to off-white crystalline powder
Purity (HPLC) ≥99.0%
Melting Point 142-145°C
Storage Conditions 2-8°C in inert atmosphere

Comparative Analysis

Feature 2-Chloro-5-fluoropyrimidin-4-one Standard Pyrimidine Derivatives
Reactivity High (Dual activating groups) Moderate
Synthetic Flexibility 3 reactive sites for functionalization Typically 1-2 sites
Pharma Compatibility Preferred for kinase inhibitors Limited target specificity
Thermal Stability Stable up to 150°C Degrades above 120°C

2. Key Applications & Industrial Uses

Pharmaceutical Intermediates

Essential building block for:

  • Tyrosine kinase inhibitor precursors
  • Anticancer drug candidates (Phase II/III compounds)
  • Antiviral agent molecular frameworks

Agrochemical Development

Critical component in:

  • Next-generation fungicides
  • Herbicide resistance management formulations
  • Plant growth regulator synthesis

3. Usage Guidelines & Handling Procedures

Synthetic Protocols

Recommended reaction conditions:

Reaction Type Conditions Yield Range
Nucleophilic Substitution DCM, 0-5°C, N2 atmosphere 78-85%
Cross Coupling Pd(PPh3)4, THF, 60°C 65-72%

4. Application Case Studies

Case 1: Antineoplastic Agent Development

Used in 9-step synthesis of EGFR inhibitor:

  • Key Suzuki coupling reaction substrate
  • Improved reaction efficiency by 40% vs alternatives
  • Current status: IND-enabling studies

5. Verified Client Implementations

European Pharma Leader (Confidential)

  • Application: Kinase inhibitor scaffold development
  • Consumption: 120kg/year (GMP grade)
  • Result: Accelerated lead optimization by 6 months

US Agrochemical Innovator

  • Usage: Systemic fungicide active ingredient
  • Scale: 500kg pilot batch production
  • Outcome: 92% disease suppression in field trials

6. Request Customized Solutions

Contact our technical team:

  • Email: info@vivalr.com
  • Phone: (86) 15866781826
  • Available Services:
    • Custom synthesis (100g to 100kg scale)
    • Stable isotope-labeled variants
    • Regulatory support documentation
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