Di-tert-butyl acetylenedicarboxylate
Di-tert-butyl acetylenedicarboxylate (CAS 66086-33-7), a diester derivative of acetylene dicarboxylic acid, presents as a solid with a molecular weight of 226.27 g/mol. It serves as a valuable building block and reagent in organic synthesis, particularly in reactions involving Michael additions and cycloadditions. Its structure features two tert-butyl ester groups flanking an alkyne, making it a useful intermediate for constructing complex organic molecules in research and development settings.
- IUPAC
- 2-Butynedioic acid di-tert-butyl ester,Di-tert-butyl 2-butynedioate
- Synonyms
- 2-Butynedioic acid di-tert-butyl esterDi-tert-butyl 2-butynedioate
Organic Synthesis Intermediate
Utilised as a versatile building block in the synthesis of various organic compounds. Its alkyne functionality is reactive towards nucleophiles and dienophiles, enabling its incorporation into complex molecular architectures.
Diels-Alder Reactions
Acts as a dienophile in Diels-Alder reactions, facilitating the formation of cyclic compounds. This is a key application in the construction of carbocyclic and heterocyclic ring systems.
Michael Additions
Participates in Michael addition reactions, where nucleophiles add to the electron-deficient alkyne. This reactivity is crucial for C-C bond formation and the synthesis of functionalised molecules.
Research and Development
Employed in academic and industrial research laboratories for exploring novel synthetic pathways and developing new chemical entities.
| Molecular weight | 226.27 |
|---|---|
| Linear formula | (CH3)3COCOC≡CCOOC(CH3)3 |
| Assay | 98% |
| Boiling point | 80-82 °C/0.05 mmHg(lit.) |
| Melting point | 33-37 °C(lit.) |
Hazard statements
- H314Causes severe skin burns and eye damage
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges |
|---|---|
| Transport (UN / ADR) | UN 3261 8 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34-36/37 |
| Safety statements (S) | 26-27-28-36/37/39-45 |
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 Di-tert-butyl acetylenedicarboxylate used for?
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Di-tert-butyl acetylenedicarboxylate (CAS 66086-33-7) is primarily used as a building block and reagent in organic synthesis, including Diels-Alder and Michael addition reactions, for research and development purposes.
What is the CAS number and chemical formula for Di-tert-butyl acetylenedicarboxylate?
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The CAS number is 66086-33-7. The linear formula is (CH₃)₃COCOC≡CCOOC(CH₃)₃.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Di-tert-butyl acetylenedicarboxylate with an assay of 98%. We do not represent this product as USP, BP, or EP grade.
What are the safety and handling precautions for Di-tert-butyl acetylenedicarboxylate?
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This compound is labelled with GHS symbols for corrosion and irritation (GHS05, GHS07) with a 'Danger' signal word. It causes severe skin burns and eye damage (H314) and may cause respiratory irritation (H335). Appropriate personal protective equipment, including eyeshields, gloves, and suitable respiratory protection, is essential. Handle in a well-ventilated area.
How is Di-tert-butyl acetylenedicarboxylate packed and shipped?
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Di-tert-butyl acetylenedicarboxylate is packed and shipped in accordance with relevant regulations, including UN 3261, Class 8, Packing Group III. We export globally.
How can I request a sample or quote for Di-tert-butyl acetylenedicarboxylate?
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Please contact our sales team via the website or phone to request a sample or a quotation for Di-tert-butyl acetylenedicarboxylate.
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