tert-Butyl 3-isothiocyanatobenzoate
Tert-Butyl 3-isothiocyanatobenzoate (CAS: 486415-53-6) is a sulphur-containing organic building block with the molecular formula C12H13NO2S and a molecular weight of 235.30 g/mol. This compound is primarily used in chemical synthesis as an intermediate. Its isothiocyanate functional group offers reactivity for constructing more complex molecules, making it a valuable reagent in research and development laboratories for creating novel organic structures.
- IUPAC
- 3-(tert-Butoxycarbonyl)phenyl isothiocyanate
- Synonyms
- 3-(tert-Butoxycarbonyl)phenyl isothiocyanate
Organic Synthesis Intermediate
Tert-Butyl 3-isothiocyanatobenzoate serves as a key intermediate in the synthesis of various organic compounds. Its reactive isothiocyanate moiety allows for facile coupling reactions, enabling the formation of thioureas, heterocycles, and other functionalized molecules.
Research and Development
This compound is utilised in research laboratories for exploring new synthetic pathways and developing novel chemical entities. It is particularly useful in medicinal chemistry and materials science for introducing specific structural features.
Building Block for Complex Molecules
As an organic building block, tert-Butyl 3-isothiocyanatobenzoate provides a versatile platform for constructing more intricate molecular architectures. Its application is crucial in multi-step syntheses where specific functional group introduction is required.
| Molecular weight | 235.30 |
|---|---|
| Empirical formula | C12H13NO2S |
| Assay | ≥97.0% (HPLC) |
| Melting point | 37-40 °C |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H317May cause an allergic skin reaction
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P342
| Protective equipment | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-42 |
| Safety statements (S) | 22-36/37-45 |
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 Tert-Butyl 3-isothiocyanatobenzoate used for?
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Tert-Butyl 3-isothiocyanatobenzoate is used as an intermediate in organic synthesis and as a building block for creating more complex molecules in research and development laboratories.
What are the CAS number and formula for Tert-Butyl 3-isothiocyanatobenzoate?
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The CAS number for Tert-Butyl 3-isothiocyanatobenzoate is 486415-53-6, and its empirical formula is C12H13NO2S.
What grade and purity does Tech Serve Solutions supply for Tert-Butyl 3-isothiocyanatobenzoate?
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Tech Serve Solutions supplies Tert-Butyl 3-isothiocyanatobenzoate with a purity of ≥97.0% (HPLC). We do not represent this product as USP, EP, BP, or pharmacopoeia grade.
How should Tert-Butyl 3-isothiocyanatobenzoate be handled safely?
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Tert-Butyl 3-isothiocyanatobenzoate is classified with Danger signal word. It is harmful if swallowed, in contact with skin, and if inhaled, and may cause an allergic skin reaction and allergy or asthma symptoms or breathing difficulties if inhaled. It is essential to wear appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, faceshields, and gloves. Work in a well-ventilated area or fume hood. In case of exposure, seek immediate medical attention.
Is Tert-Butyl 3-isothiocyanatobenzoate a controlled substance?
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The provided data does not indicate that Tert-Butyl 3-isothiocyanatobenzoate is a controlled substance.
How is Tert-Butyl 3-isothiocyanatobenzoate packed and exported?
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Tech Serve Solutions expertly packs and exports chemicals globally, adhering to all necessary regulations for safe and compliant international shipping. Specific packaging details can be provided upon request.
How can I request a quote or sample for Tert-Butyl 3-isothiocyanatobenzoate?
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To request a quote or sample of Tert-Butyl 3-isothiocyanatobenzoate, please contact our sales department via the website or by phone. Our team will be happy to assist you with your inquiry.
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