3-Chloropropyl isocyanate
3-Chloropropyl isocyanate (CAS: 13010-19-0) is an organic compound with the formula Cl(CH2)3NCO and a molecular weight of 119.55 g/mol. This chemical serves as a valuable building block in organic synthesis. It is primarily utilised for the preparation of various heterocyclic compounds, including complex fused ring systems and specialised nitroso-carbamoyl derivatives, facilitating the development of novel molecular structures in research and development.
Synthesis of Fused Heterocyclic Systems
3-Chloropropyl isocyanate is employed in the synthesis of complex fused ring systems such as imidazo[1′,2′:3,4]pyrimido[6,1-a]isoquinolin-5-ones and pyrimido[1′,2′:3,4]pyrimido[6,1-a]isoquinoline-6-ones. These reactions often involve coupling with appropriate precursors to construct intricate molecular architectures.
Preparation of Nitroso-Carbamoyl Derivatives
This isocyanate is used in the preparation of N-substituted nitroso-carbamoyl compounds, such as N-[N'-(3-chloropropyl)-N'-nitrosocarbamoyl]-L-proline. These intermediates can be further modified for diverse applications in medicinal chemistry research.
Construction of Oxazino[2,3-b]quinazolines
3-Chloropropyl isocyanate participates in the formation of 1,3-oxazino[2,3-b]quinazolines through a coupling reaction with anthranilamide. This synthetic route provides access to a specific class of nitrogen-containing heterocycles.
| Molecular weight | 119.55 |
|---|---|
| Linear formula | Cl(CH2)3NCO |
| Assay | 96% |
| Boiling point | 152-154 °C(lit.) |
| Density | 1.165 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.452(lit.) |
| Application | 3-Chloropropyl isocyanate has been used in the preparation of: • 9,10-dimethoxy- and 9,10-diethoxy-5H-2,3,7,8,12b,13-hexahydroimidazo[1′,2′:3,4]pyrimido[6,1-a]isoquinolin-5-one1• 11,12-dimethoxy- and 11,12-diethoxy-2H,6H-3,4,8,9,13b,14-hexahydropyrimido[1′,2′:3,4]pyrimido[6,1-a]isoquinoline-6-one1• N-[N′-(3-chloropropyl)-N′-nitrosocarbamoyl]-L-proline2• 1,3-oxazino[2,3-b]quinazolines via coupling with anthranilamide3 |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- 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 | 62 °C / 143.6 °F |
| Transport (UN / ADR) | UN 2206 6.1/PG 3 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37 |
| Safety statements (S) | 23-26-27-28-36/37/39 |
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 3-Chloropropyl isocyanate used for?
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3-Chloropropyl isocyanate is primarily used as a building block in organic synthesis for the preparation of various heterocyclic compounds, including fused ring systems and specialised nitroso-carbamoyl derivatives.
What are the CAS number and chemical formula for 3-Chloropropyl isocyanate?
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The CAS number for 3-Chloropropyl isocyanate is 13010-19-0, and its linear chemical formula is Cl(CH2)3NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Chloropropyl isocyanate with a minimum purity of 96% (assay). This product is not classified as USP, BP, or EP grade.
How should 3-Chloropropyl isocyanate be handled safely?
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3-Chloropropyl isocyanate is classified as a Warning substance (GHS07). It is harmful if swallowed, in contact with skin, or if inhaled, and causes serious eye irritation and respiratory irritation. Appropriate personal protective equipment, including eyeshields, face shields, gloves, and a suitable respirator, must be worn. Handle in a well-ventilated area.
Does Tech Serve Solutions export this chemical?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 3-Chloropropyl isocyanate.
How can I request a sample or quote for 3-Chloropropyl isocyanate?
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To request a sample or quote for 3-Chloropropyl isocyanate, please contact our sales team through the website or by phone.
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