tert-Butyl propiolate
Tert-Butyl propiolate (CAS: 13831-03-3), with the linear formula HC≡CCOOC(CH₃)₃ and a molecular weight of 126.15 g/mol, is a valuable organic ester. It serves as a key building block in chemical synthesis, particularly for preparing complex organic molecules. Its utility extends to the synthesis of various heterocycles, alkaloids, and unsaturated amino acids, making it an important reagent for research and development in organic chemistry and medicinal chemistry.
- IUPAC
- tert-Butyl acetylenecarboxylate
- Synonyms
- tert-Butyl acetylenecarboxylate
Heterocycle Synthesis
Tert-Butyl propiolate is employed as a precursor in the synthesis of diverse heterocyclic compounds. Its reactive alkyne and ester functionalities allow for cyclization reactions to form novel ring systems.
Alkaloid Preparation
This ester is utilised in the preparation of alkaloids, a significant class of natural products with diverse biological activities. It facilitates the construction of complex alkaloid skeletons.
Unsaturated Amino Acid Synthesis
Tert-Butyl propiolate serves as a building block for the synthesis of unsaturated amino acids. These molecules are important in biochemistry and can be incorporated into peptides or used as drug precursors.
Organic Building Block
As a versatile organic building block, tert-butyl propiolate finds application in various synthetic pathways. Its structure allows for diverse chemical transformations, supporting the creation of new organic molecules.
| Molecular weight | 126.15 |
|---|---|
| Linear formula | HC≡CCOOC(CH3)3 |
| Assay | 98% |
| Boiling point | 52-53 °C/27 mmHg(lit.) |
| Density | 0.919 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.418(lit.) |
| Application | Used to prepare heterocycles,1,2 alkaloids,3 and unsaturated amino acids.4 |
| Melting point | 18-20 °C(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 28 °C / 82.4 °F |
| Transport (UN / ADR) | UN 3272 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 26-36/37/39 |
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 propiolate used for?
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Tert-Butyl propiolate is used in organic synthesis as a building block for preparing heterocycles, alkaloids, and unsaturated amino acids. It is also generally utilised in chemical synthesis.
What is the CAS number and formula for tert-Butyl propiolate?
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The CAS number for tert-Butyl propiolate is 13831-03-3, and its linear formula is HC≡CCOOC(CH₃)₃.
What grade and purity does Tech Serve Solutions supply for tert-Butyl propiolate?
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Tech Serve Solutions supplies tert-Butyl propiolate with a minimum assay of 98%. This product is intended for research and chemical synthesis purposes and is not represented as USP, BP, EP, or any other pharmacopoeia grade.
How should tert-Butyl propiolate be handled safely?
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Tert-Butyl propiolate is a flammable liquid and vapour (H226), and causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Handle in a well-ventilated area with appropriate personal protective equipment, including eyeshields, faceshields, and suitable gloves. Avoid breathing vapours. Refer to the safety data sheet for comprehensive handling information.
How is tert-Butyl propiolate packed, shipped, and exported?
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Tert-Butyl propiolate is packed and shipped in compliance with relevant transportation regulations for flammable liquids (UN 3272). Tech Serve Solutions offers global export services for this chemical.
How can I request a quote or sample of tert-Butyl propiolate?
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To request a quote or a sample of tert-Butyl propiolate, please contact our sales department through the website or by telephone. Provide your details and the required quantity.
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