3-Butyn-1-yl chloroformate
3-Butyn-1-yl chloroformate (CAS: 190774-49-3), with the linear formula ClCO₂CH₂CH₂C≡CH and a molecular weight of 132.55 g/mol, is a reactive organic compound. It functions as a versatile building block in chemical synthesis. Its primary applications lie in organic synthesis, particularly in the introduction of the 3-butyn-1-yloxycarbonyl protecting group and in the construction of more complex molecular architectures.
Organic Synthesis Intermediate
This compound serves as a key intermediate in the synthesis of various organic molecules. The chloroformate functionality allows for facile reactions with nucleophiles, while the terminal alkyne offers a site for further functionalization via click chemistry or other alkyne-based transformations.
Protecting Group Chemistry
3-Butyn-1-yl chloroformate can be employed to introduce the 3-butyn-1-yloxycarbonyl (Boc-yne) protecting group onto alcohols and amines. This protecting group is stable under various reaction conditions and can be selectively removed when needed.
Click Chemistry Reagent
The terminal alkyne moiety makes this compound a valuable reagent for copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, a cornerstone of click chemistry. It enables the facile conjugation of molecules in diverse fields like materials science and chemical biology.
Building Block for Complex Molecules
Its bifunctional nature, with both a reactive chloroformate and a functionalizable alkyne, positions 3-Butyn-1-yl chloroformate as an important building block for the construction of complex molecular scaffolds and heterocyclic compounds.
| Molecular weight | 132.55 |
|---|---|
| Linear formula | ClCO2CH2CH2C≡CH |
| Assay | 98% |
| Boiling point | 149 °C(lit.) |
| Density | 1.166 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.443(lit.) |
| Vapour pressure | 1.78 psi (20 °C) |
Hazard statements
- H301Toxic if swallowed
- H311Toxic in contact with skin
- H314Causes severe skin burns and eye damage
- H331Toxic if inhaled
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 | Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Transport (UN / ADR) | UN 3390 6.1/PG 1 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T,C |
| Risk statements (R) | 23/24/25-34 |
| Safety statements (S) | 26-27-36/37/39-45 |
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 3-Butyn-1-yl chloroformate used for?
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3-Butyn-1-yl chloroformate is used as an intermediate in organic synthesis, for introducing the 3-butyn-1-yloxycarbonyl protecting group, and as a building block in click chemistry and the construction of complex molecules.
What is the CAS number and formula for 3-Butyn-1-yl chloroformate?
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The CAS number for 3-Butyn-1-yl chloroformate is 190774-49-3, and its linear formula is ClCO₂CH₂CH₂C≡CH.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Butyn-1-yl chloroformate with an assay of 98%. TSS does not represent this product as USP, BP, or EP grade.
What are the safety and handling considerations for 3-Butyn-1-yl chloroformate?
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3-Butyn-1-yl chloroformate is a Danger substance (GHS05, GHS06) with hazards including toxicity if swallowed, in contact with skin, or if inhaled, and causes severe skin burns and eye damage (H301-H311-H314-H331). Appropriate personal protective equipment, including full-face respirators, gloves, and goggles, is essential. Handle only in well-ventilated areas.
How is 3-Butyn-1-yl chloroformate shipped and exported?
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3-Butyn-1-yl chloroformate is shipped internationally under UN 3390, Hazard Class 6.1, Packing Group I (UN 3390 6.1/PG 1).
How can I request a sample or quote for 3-Butyn-1-yl chloroformate?
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To request a sample or a quotation, please contact the Tech Serve Solutions sales department via our website or by phone, providing the product name and CAS number.
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