Ethyl 4-Bromobutyrate (CAS 2969-81-5)
Ethyl 4-bromobutyrate, also known as ethyl 4-bromobutanoate or 4-bromobutyric acid ethyl ester, is a high-purity organic synthesis intermediate with CAS number 2969-81-5. This versatile alkylating agent features both a reactive bromine atom and an ester functional group, making it an essential building block in pharmaceutical manufacturing, agrochemical development, and advanced organic chemistry.
Key Chemical Properties
- Molecular Formula: C₆H₁₁BrO₂
- Molecular Weight: 195.05 g/mol
- Appearance: Colorless to light yellow clear liquid
- Boiling Point: 80–82 °C at 10 mmHg
- Density: 1.363 g/mL at 25 °C
- Refractive Index: n²⁰/D 1.456
- Flash Point: 90.6 °C (195 °F)
- Purity: Available in ≥98% (GC) technical and high-purity grades
Common Synonyms
- Ethyl 4-bromobutanoate
- 4-Bromobutyric acid ethyl ester
- Ethyl γ-bromobutyrate
- Butanoic acid, 4-bromo-, ethyl ester
Primary Applications and Uses
Ethyl 4-bromobutyrate serves as a key intermediate in multiple high-value sectors:
- Pharmaceutical Synthesis: Used to introduce the 4-carbon chain in active pharmaceutical ingredients (APIs) such as intermediates for ezetimibe (hypercholesterolemia treatment), bepotastine (allergy medication), tolvaptan (heart failure drug), tacrolimus-related compounds, and various epilepsy and cardiovascular agents.
- Agrochemicals: Essential building block for pesticide and herbicide intermediates.
- Specialty Chemicals: Applied in the synthesis of liquid crystal materials, vat dyes, and complex natural products.
- Research & Analytical: Employed in ELISA development (e.g., zilpaterol detection) and as a reagent for preparing isosteric heterocyclic compounds and firefly luciferase inhibitors.
Its dual reactivity enables efficient alkylation, cyclization, and chain-extension reactions under mild conditions, delivering high yields in industrial-scale processes.
Product Specifications
| Parameter | Specification |
|---|---|
| CAS Number | 2969-81-5 |
| Purity (GC) | ≥98.0% |
| Appearance | Colorless to light yellow liquid |
| Moisture | ≤0.5% |
| Acid Value | ≤0.5 mg KOH/g |
| Packaging | 25 kg, 200 kg drums or custom |
| Shelf Life | 24 months (proper storage) |
Safety and Handling
Ethyl 4-bromobutyrate is a combustible liquid and classified as a skin, eye, and respiratory irritant. Always handle in a well-ventilated area or fume hood. Use chemical-resistant gloves, safety goggles, and protective clothing. In case of contact, rinse immediately with plenty of water and seek medical advice if irritation persists. Store in a cool, dry, well-ventilated place away from strong bases, oxidizing agents, and direct sunlight. Keep container tightly closed.
Frequently Asked Questions (FAQs)
Q1: What is the CAS number of ethyl 4-bromobutyrate?
A: The CAS registry number is 2969-81-5.
Q2: What is ethyl 4-bromobutyrate mainly used for?
A: It is primarily used as a versatile intermediate in pharmaceutical, agrochemical, and specialty chemical synthesis, especially for introducing four-carbon bromoalkyl chains.
Q3: Is ethyl 4-bromobutyrate hazardous?
A: It causes skin and serious eye irritation and may cause respiratory irritation. It is combustible but not highly flammable. Standard laboratory safety protocols and PPE are required.
Q4: How should ethyl 4-bromobutyrate be stored?
A: Store in a cool (2–8 °C recommended for long-term), dry, dark place in tightly sealed original containers. Avoid moisture and strong oxidizers.
Q5: What purity levels are available?
A: Standard technical grade ≥95%, high-purity grade ≥98% (GC), with custom specifications available upon request.
Q6: Can ethyl 4-bromobutyrate be used in GMP pharmaceutical production?
A: Yes, high-purity grades meeting pharmacopeia-related impurity profiles are supplied for regulated pharmaceutical intermediate manufacturing.
Q7: What are the main synonyms for this compound?
A: Ethyl 4-bromobutanoate, 4-bromobutyric acid ethyl ester, and ethyl γ-bromobutyrate.
Q8: Is ethyl 4-bromobutyrate stable under normal conditions?
A: It is stable when stored correctly but sensitive to strong bases and moisture, which may cause hydrolysis of the ester group.
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