Ethyl isothiocyanatoacetate
Ethyl isothiocyanatoacetate (CAS 24066-82-8) is a chemical compound with the linear formula SCNCH₂CO₂C₂H₅ and a molecular weight of 145.18. It serves as a versatile building block in organic synthesis. Its reactivity makes it useful for constructing various heterocyclic systems, including fused pyrimidines and thiazolo[5,4-d]thiazoles, and is frequently employed in the preparation of pharmaceutical intermediates and complex organic molecules.
Synthesis of Fused Pyrimidines
Ethyl isothiocyanatoacetate is utilized in the synthesis of fused pyrimidine derivatives. These heterocyclic compounds are of interest in medicinal chemistry for their potential biological activities.
Preparation of Thiazolo[5,4-d]thiazoles
This compound acts as a precursor in the formation of thiazolo[5,4-d]thiazole ring systems. This application highlights its utility in constructing sulfur-containing heterocyclic scaffolds.
Formation of Triazolinone Derivatives
It can react with carboxylic acid hydrazides to yield ethyl (3-substituted 5-thioxo-1,2,4-triazolin-4-yl)acetates, demonstrating its role in synthesising complex nitrogen and sulfur heterocycles.
Intermediate for Quinazolines and Related Heterocycles
Ethyl isothiocyanatoacetate is employed in the construction of quinazoline, benzothienopyrimidine, and benzofuropyrimidine ring systems, underscoring its value in heterocyclic chemistry.
| Molecular weight | 145.18 |
|---|---|
| Linear formula | SCNCH2CO2C2H5 |
| Assay | 97% |
| Boiling point | 104-106 °C/7 mmHg(lit.) |
| Density | 1.171 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.502(lit.) |
| Storage temperature | 2-8°C |
| Application | Ethyl isothiocyanatoacetate has been used in the synthesis of:• fused pyrimidines1• ethyl (3-substituted 5-thioxo-1,2,4-triazolin-4-yl)acetates via addition-cyclization reaction with carboxylic acid hydrazides in the presence of sodium ethoxide2• 3-O-amino-2-thiohydantoins3• quinazoline, benzothienopyrimidine and benzofuropyrimidine1• thiazolo[5,4-d]thiazole4 |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- 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 | 109 °C / 228.2 °F |
| Transport (UN / ADR) | UN 2810 6.1 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| 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 Ethyl isothiocyanatoacetate used for?
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Ethyl isothiocyanatoacetate is primarily used as a building block in organic synthesis for creating fused pyrimidines, ethyl (3-substituted 5-thioxo-1,2,4-triazolin-4-yl)acetates, 3-O-amino-2-thiohydantoins, quinazoline, benzothienopyrimidine, benzofuropyrimidine, and thiazolo[5,4-d]thiazole ring systems.
What is the CAS number and formula for Ethyl isothiocyanatoacetate?
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The CAS number for Ethyl isothiocyanatoacetate is 24066-82-8, and its linear formula is SCNCH₂CO₂C₂H₅.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Ethyl isothiocyanatoacetate with a purity of 97%. This product is supplied for research and development purposes and is not represented as USP, BP, EP, or any other pharmacopoeia grade.
How should Ethyl isothiocyanatoacetate be handled safely?
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Ethyl isothiocyanatoacetate is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes skin and serious eye irritation, and may cause respiratory irritation. Always use appropriate personal protective equipment, including eyeshields, face shields, gloves, and a suitable respirator. Handle in a well-ventilated area or under a fume hood. Refer to the Safety Data Sheet (SDS) for detailed handling procedures.
How is Ethyl isothiocyanatoacetate packed, shipped, and exported?
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Ethyl isothiocyanatoacetate is carefully packed and shipped in accordance with international regulations for hazardous materials. As a global supplier, Tech Serve Solutions exports this chemical worldwide, ensuring compliance with all relevant transport and customs requirements.
How can I request a sample or quote for Ethyl isothiocyanatoacetate?
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To request a sample or a quote for Ethyl isothiocyanatoacetate, please contact our sales team through the website or by calling us directly. Please specify the quantity and any specific delivery requirements you may have.
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