Methyl isocyanoacetate
Methyl isocyanoacetate (CAS: 39687-95-1) is an organic compound with the linear formula CNCH₂COOCH₃ and a molecular weight of 99.09 g/mol. This chemical serves as a valuable building block in organic synthesis, particularly in the development of nitrogen-containing heterocyclic compounds. Its utility has been demonstrated in reactions such as the synthesis of oxazolines, making it a key reagent for researchers in medicinal chemistry and materials science.
Synthesis of Oxazolines
Methyl isocyanoacetate is employed in copper-catalyzed reactions for the diastereoselective synthesis of oxazolines. This application is significant in the preparation of complex heterocyclic structures.
Organic Building Block
As an organic building block, it facilitates the construction of more complex molecules. Its isocyanoacetate functionality allows for diverse chemical transformations.
Chemical Synthesis Reagent
It is utilized as a reagent in various chemical synthesis pathways, contributing to the development of novel organic compounds and intermediates.
| Molecular weight | 99.09 |
|---|---|
| Linear formula | CNCH2COOCH3 |
| Assay | ≥97.0% (GC) |
| Boiling point | 75-76 °C/10 mmHg(lit.) |
| Density | 1.09 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.417(lit.)n20/D 1.418 |
| Storage temperature | −20°C |
| Application | Methyl isocyanoacetate has been used in the copper-catalyzed, diastereoselective synthesis of oxazolines1. |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H314Causes severe skin burns and eye damage
- H332Harmful if inhaled
Precautionary statements
- 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 |
|---|---|
| Flash point | 84 °C / 183.2 °F |
| Transport (UN / ADR) | UN 2922 6.1(8) / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 20/21/22-34 |
| Safety statements (S) | 26-36/37/39-45 |
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 Methyl isocyanoacetate used for?
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Methyl isocyanoacetate is used as a building block in organic synthesis, notably in the copper-catalyzed synthesis of oxazolines. It is a valuable reagent for creating nitrogen-containing heterocyclic compounds.
What is the CAS number and formula for Methyl isocyanoacetate?
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The CAS number is 39687-95-1 and the linear formula is CNCH₂COOCH₃.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Methyl isocyanoacetate with an assay of ≥97.0% (GC). We do not represent this product as USP, BP, or EP grade.
How should Methyl isocyanoacetate be handled safely?
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Methyl isocyanoacetate is classified as Dangerous. It is harmful if swallowed, in contact with skin, or if inhaled, and causes severe skin burns and eye damage. Appropriate personal protective equipment, including gloves, eye protection, and respiratory protection, must be used. Handle in a well-ventilated area.
Is Methyl isocyanoacetate a controlled substance?
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The provided data does not indicate that Methyl isocyanoacetate is a controlled substance. Always verify local regulations.
How is Methyl isocyanoacetate packed and shipped by TSS?
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Methyl isocyanoacetate is stored under refrigeration at -20°C. TSS expertly packs and exports fine chemicals globally, adhering to all shipping regulations for hazardous materials.
How can I request a quote or sample for Methyl isocyanoacetate?
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Please contact our sales team via the website to request a quote or a sample for Methyl isocyanoacetate.
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