tert-butyl 4-(chloromethyl)benzoate cas 121579-86-0

Density: 1.108
Appearance: white solid
Packing: 25kg/drum
Sample: Available

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tert-Butyl 4-(Chloromethyl)benzoate (CAS 121579-86-0): Comprehensive User Guide

1. Product Overview and Specifications

tert-Butyl 4-(Chloromethyl)benzoate (CAS 121579-86-0) is a high-purity chemical intermediate widely used in pharmaceutical and organic synthesis. Key parameters include:

Parameter Value
Molecular Formula C12H15ClO2
Molecular Weight 226.7 g/mol
Appearance White to off-white crystalline powder
Purity ≥98% (HPLC)
Storage 2-8°C in airtight containers

Comparative Analysis with Similar Compounds

Compound CAS Purity Applications
tert-Butyl 4-(Chloromethyl)benzoate 121579-86-0 ≥98% Pharma intermediates, peptide synthesis
Methyl 4-(chloromethyl)benzoate 34040-64-7 ≥95% Polymer chemistry

2. Key Applications and Uses

  • Pharmaceutical Intermediates: Critical in synthesizing kinase inhibitors and antiviral agents.
  • Peptide Synthesis: Acts as a protecting group for carboxyl functionalities.
  • Agrochemicals: Building block for herbicides and fungicides.
  • Material Science: Used in polymer crosslinking agents.

3. Usage Guidelines and Best Practices

Handling Precautions

  • Use PPE (gloves, goggles) to avoid skin/eye contact.
  • Work under fume hoods to prevent inhalation.

Reaction Optimization

  • Optimal reaction temperature: 20-25°C in inert solvents like DCM or THF.
  • Typical yield: 75-85% under controlled conditions.

4. Case Studies

Case 1: Anticancer Drug Intermediate Synthesis

Challenge: Low yield in final coupling step.
Solution: Used tert-butyl 4-(chloromethyl)benzoate as a carboxyl-protecting group.
Result: Yield improved from 52% to 81% with higher purity.

Case 2: Peptide-Based API Development

Challenge: Acid-sensitive peptide degradation.
Solution: Implemented orthogonal protection strategy using this compound.
Result: Reduced side reactions and improved scalability.

5. Client Success Stories

Client A: PharmaTech Innovations (USA)

Project: Synthesis of BTK inhibitor candidates
Usage: 15 kg batch for preclinical studies
Feedback: “Consistent quality reduced purification steps by 40%”

Client B: ChemSolutions GmbH (Germany)

Project: Development of herbicide intermediates
Usage: 500 kg annual procurement
Feedback: “Enabled cost-effective scale-up with 99.2% purity”

6. Contact for Quotations

Request pricing, technical data, or custom synthesis options:

Next Steps:
• Specify required quantity and purity grade
• Provide shipping/delivery requirements
• Ask about bulk order discounts

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