1-Adamantyl isothiocyanate
1-Adamantyl isothiocyanate (CAS: 4411-26-1; Formula: C11H15NS; Molar Mass: 193.31 g/mol) is a versatile organic building block. This sulfur-containing compound, identified by its unique adamantyl cage structure, serves as a key intermediate in various chemical syntheses. It is primarily utilised in the development of novel ligands and complex organic molecules within research and development settings.
Synthesis of Novel Ligands
1-Adamantyl isothiocyanate is employed in the preparation of specialized ligands, such as tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligands. These ligands are crucial for developing new catalytic systems and coordination complexes in inorganic and organometallic chemistry.
Thiourea Derivative Synthesis
The compound facilitates the synthesis of complex thiourea derivatives. An example includes the preparation of 1-adamantyl-3-(2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-ylamino)alkane)thiourea, which can be further functionalized for applications in medicinal chemistry research.
Organic Synthesis Intermediate
As a reactive isothiocyanate, it is a valuable building block for introducing the adamantyl moiety into diverse organic structures. This enables the exploration of structure-activity relationships in various chemical research fields.
| Molecular weight | 193.31 |
|---|---|
| Empirical formula | C11H15NS |
| Assay | 99% |
| Application | 1-Adamantyl isothiocyanate was used in the synthesis of:• tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand1• 1-adamantyl-3-(2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-ylamino)alkane)thiourea 2,3-dihydroxysuccinates2 |
| Melting point | 166-168 °C(lit.) |
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 | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-37/39 |
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 1-Adamantyl isothiocyanate used for?
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1-Adamantyl isothiocyanate is used as a building block in chemical synthesis, particularly for creating novel ligands and thiourea derivatives for research and development.
What are the CAS number and chemical formula for 1-Adamantyl isothiocyanate?
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The CAS number is 4411-26-1 and the chemical formula is C11H15NS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Adamantyl isothiocyanate with a purity of 99% (assay). This product is supplied for research and laboratory use and is not represented as USP, BP, EP, or any pharmacopoeia grade.
How should 1-Adamantyl isothiocyanate be handled safely?
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Handle with appropriate personal protective equipment, including a dust mask (N95 type), eyeshields, and gloves. Ensure good ventilation. Avoid breathing dust. It is harmful if swallowed, inhaled, or absorbed through skin, and causes skin and eye irritation.
Is 1-Adamantyl isothiocyanate a controlled substance?
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Based on the provided data, there is no indication that 1-Adamantyl isothiocyanate is a controlled substance.
How is 1-Adamantyl isothiocyanate packed, shipped, and exported?
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Tech Serve Solutions packages, ships, and exports fine chemicals, pharmaceutical intermediates, and laboratory reagents globally, adhering to all necessary regulations for safe and compliant transport.
How can I request a sample or quote for 1-Adamantyl isothiocyanate?
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To request a sample or a quotation, please use the contact form on our website or contact our sales department directly with your inquiry.
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