tert-Butyl cyanoacetate
tert-Butyl cyanoacetate (CAS: 1116-98-9) is an organic compound with the linear formula NCCH2COOC(CH3)3 and a molecular weight of 141.17 g/mol. This ester functions as a valuable building block in organic synthesis. It is utilized in the preparation of various chemical intermediates and fine chemicals, contributing to diverse research and development applications within the chemical and pharmaceutical industries.
Organic Synthesis Intermediate
Tert-Butyl cyanoacetate serves as a key intermediate in complex organic syntheses. Its reactive cyano and ester functionalities allow for versatile transformations in the construction of intricate molecular frameworks.
Precursor for Heterocyclic Compounds
This compound is employed in the synthesis of various heterocyclic systems. For instance, it has been documented for use in the preparation of vinylogous urea, a class of nitrogen-containing heterocycles.
Research and Development
Utilised in laboratory settings for the development of novel synthetic methodologies and the exploration of new chemical entities. Its availability supports academic and industrial research endeavours.
| Molecular weight | 141.17 |
|---|---|
| Linear formula | NCCH2COOC(CH3)3 |
| Assay | ≥97.0% (GC) |
| Boiling point | 40-42 °C/0.1 mmHg(lit.) |
| Density | 0.988 g/mL at 20 °C(lit.) |
| Refractive index | n20/D 1.420 |
| Storage temperature | 2-8°C |
| Application | tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea1. |
Hazard statements
- H302Harmful if swallowed
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 118 °C / 244.4 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 22 |
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 cyanoacetate used for?
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Tert-Butyl cyanoacetate is primarily used as a building block and intermediate in organic synthesis, including the preparation of vinylogous urea and other heterocyclic compounds for research and development purposes.
What is the CAS number and formula for tert-Butyl cyanoacetate?
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The CAS number for tert-Butyl cyanoacetate is 1116-98-9, and its linear formula is NCCH2COOC(CH3)3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies tert-Butyl cyanoacetate with an assay of ≥97.0% (GC). This product is intended for technical and research purposes; TSS does not represent it as USP, BP, or EP grade.
How should tert-Butyl cyanoacetate be handled safely?
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Tert-Butyl cyanoacetate is classified as harmful if swallowed (H302) and requires careful handling. Recommended personal protective equipment includes eyeshields, face shields, and appropriate gloves. A full-face respirator or a combination respirator cartridge for organic vapours and acid gases (Type ABEK) is advised.
Is tert-Butyl cyanoacetate suitable for export?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including tert-Butyl cyanoacetate, which can be shipped worldwide.
How can I request a quote or sample?
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To request a quote or a sample of tert-Butyl cyanoacetate, please contact the Tech Serve Solutions sales team through our website or by phone, providing your contact details and the quantity required.
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