tert-Butyl isocyanoacetate
tert-Butyl isocyanoacetate (CAS: 2769-72-4) is an organic compound with the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. It serves as a valuable building block in organic synthesis, particularly in the formation of nitrogen-containing heterocycles and amino acid derivatives. Its isocyano group offers unique reactivity, making it a versatile reagent in various chemical transformations and research applications.
Organic Synthesis Reagent
Utilised as a key building block in the synthesis of complex organic molecules, including pharmaceuticals and agrochemicals. Its isocyano functionality allows for participation in diverse cycloaddition and C-C bond-forming reactions.
Heterocyclic Chemistry
Employed in the construction of various nitrogen-containing heterocyclic ring systems, which are common motifs in biologically active compounds. It is particularly useful in Van Leusen pyrrole synthesis and related methodologies.
Amino Acid Synthesis
Serves as a precursor for the synthesis of modified amino acids and peptide analogues. The tert-butyl ester group can be selectively removed under acidic conditions, facilitating further functionalisation.
Research and Development
A versatile intermediate for academic and industrial research, enabling the exploration of novel synthetic pathways and the development of new chemical entities.
| Molecular weight | 141.17 |
|---|---|
| Linear formula | CNCH2COOC(CH3)3 |
| Assay | ≥95% (GC) |
| Boiling point | 50 °C/0.1 mmHg(lit.) |
| Density | 0.97 g/mL at 20 °C(lit.) |
| Refractive index | n20/D 1.422 |
| Storage temperature | −20°C |
Hazard statements
- H302Harmful if swallowed
- H332Harmful if inhaled
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 82 °C / 179.6 °F |
| Transport (UN / ADR) | UN 2810 6.1 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/22 |
| Safety statements (S) | 23-24/25 |
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 tert-Butyl isocyanoacetate used for?
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tert-Butyl isocyanoacetate is primarily used as a building block in organic synthesis, particularly for the creation of nitrogen-containing heterocycles and amino acid derivatives. It is valuable in chemical research and development for exploring new synthetic pathways.
What is the CAS number and formula for tert-Butyl isocyanoacetate?
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The CAS number for tert-Butyl isocyanoacetate is 2769-72-4, and its linear formula is CNCH2COOC(CH3)3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies tert-Butyl isocyanoacetate with an assay of ≥95% (GC). This product is supplied for research and chemical synthesis purposes and is not represented as USP, EP, or BP grade.
What are the safety considerations when handling tert-Butyl isocyanoacetate?
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tert-Butyl isocyanoacetate is classified as harmful if swallowed and harmful if inhaled (H302, H332). Appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, should be used. Handle in a well-ventilated area.
How is tert-Butyl isocyanoacetate packed, shipped, and exported?
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Tech Serve Solutions ensures secure and compliant packaging for tert-Butyl isocyanoacetate, adhering to all relevant shipping regulations for chemical export. Specific packaging details are available upon request.
How can I request a quote or sample of tert-Butyl isocyanoacetate?
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To request a quote or a sample of tert-Butyl isocyanoacetate, please contact our sales team through the website or by phone, providing your specific requirements and shipping details.
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