Methyl trans-4-bromo-2-butenoate
Methyl trans-4-bromo-2-butenoate (CAS 6000-00-6) is an organic ester with the linear formula BrCH₂CH=CHCOOCH₃ and a molecular weight of 179.01 g/mol. This compound serves as a valuable building block in organic synthesis. It is primarily utilised in the preparation of complex heterocyclic structures, such as substituted benzoxepines and benzopyrans, and has also been employed in the synthesis of radiolabelled amino acids for research purposes.
- IUPAC
- Methyl 4-bromocrotonate
Synthesis of Heterocyclic Compounds
Methyl trans-4-bromo-2-butenoate is a key intermediate in the construction of polycyclic organic molecules. It has been used in the synthesis of highly substituted benzoxepines and benzopyrans, contributing to the development of novel chemical scaffolds.
Radiolabelled Amino Acid Synthesis
This bromoester has been instrumental in the preparation of radiolabelled compounds for biochemical research. Specifically, it was utilised in the synthesis of L-α-amino [4,5-³H]adipic acid, enabling metabolic and pathway studies.
Organic Building Block
As a versatile organic building block, Methyl trans-4-bromo-2-butenoate facilitates the introduction of specific functional groups and carbon chains in complex synthetic routes. Its reactivity makes it suitable for various coupling and functionalisation reactions.
| Molecular weight | 179.01 |
|---|---|
| Linear formula | BrCH2CH=CHCOOCH3 |
| Assay | ≥90% (GC) |
| Grade | technical |
| Boiling point | 70 °C/0.03 mmHg(lit.) |
| Density | 1.498 g/mL at 20 °C(lit.) |
| Refractive index | n20/D 1.501 |
| Storage temperature | 2-8°C |
| Contains / stabiliser | silver wool as stabilizer |
| Impurities tested | ~3% methyl cis-4-bromo-2-butenoate |
| Application | Methyl trans-4-bromo-2-butenoate (Methyl 4-bromocrotonate) was used in the synthesis of highly substituted benzoxepines or benzopyrans1 and L-α-amino [4,5-3H]adipic acid2. |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 92 °C / 197.6 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Methyl trans-4-bromo-2-butenoate used for?
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Methyl trans-4-bromo-2-butenoate is used as a building block in organic synthesis, particularly in the preparation of heterocyclic compounds like benzoxepines and benzopyrans, and in the synthesis of radiolabelled amino acids.
What is the CAS number and formula for Methyl trans-4-bromo-2-butenoate?
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The CAS number is 6000-00-6, and the linear formula is BrCH₂CH=CHCOOCH₃.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Methyl trans-4-bromo-2-butenoate with a technical grade and an assay of ≥90% (GC). It contains approximately 3% methyl cis-4-bromo-2-butenoate as an impurity. This product is not represented as USP, BP, or EP grade.
How should Methyl trans-4-bromo-2-butenoate be handled safely?
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Methyl trans-4-bromo-2-butenoate is a Warning substance that causes skin irritation, serious eye irritation, and may cause respiratory irritation (H315-H319-H335). It should be handled with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator. Ensure adequate ventilation.
How is Methyl trans-4-bromo-2-butenoate packed and exported?
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Tech Serve Solutions, as a specialist global supplier and exporter, ensures appropriate packaging for the safe transport of Methyl trans-4-bromo-2-butenoate. It is stored at 2-8°C and contains silver wool as a stabiliser.
How can I request a sample or quote for Methyl trans-4-bromo-2-butenoate?
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To request a sample or a quote for Methyl trans-4-bromo-2-butenoate, please contact the Tech Serve Solutions sales team through the website or by phone. Provide the product name and CAS number (6000-00-6) for efficient processing.
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