tert-Butyl 4-(Chloromethyl)benzoate (CAS 121579-86-0): Comprehensive User Guide
Table of Contents
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:
- Email: info@vivalr.com
- Phone: (86) 15866781826
Next Steps:
• Specify required quantity and purity grade
• Provide shipping/delivery requirements
• Ask about bulk order discounts



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