1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-3,1-benzoxazine-2,4(1H)-dione
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-3,1-benzoxazine-2,4(1H)-dione (CAS 544418-04-4; C19H10F17NO3; molar mass 623.26 g/mol) is a fluorous (Rf-tagged) isatoic anhydride derivative carrying a heptadecafluoro chain. The reactive 3,1-benzoxazine-2,4(1H)-dione core acylates amines, while the perfluorinated tag confers fluorophilicity for clean separation by fluorous solid-phase extraction. Supplied at an assay of at least 97.0%, it is used chiefly as a solution-phase scavenger and tagging reagent in fluorous and specialty organic synthesis.
- IUPAC
- 1-(1H,1H,2H,2H,3H,3H-Perfluoroundecyl)-3,1-benzoxazine-2,4(1H)-dione,1-[3-(Perfluorooctyl)propyl]-3,1-benzoxazine-2,4(1H)-dione
- Synonyms
- 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-3,1-benzoxazine-2,4(1H)-dione1-(1H,1H,2H,2H,3H,3H-Perfluoroundecyl)-3,1-benzoxazine-2,4(1H)-dione1-[3-(Perfluorooctyl)propyl]-3,1-benzoxazine-2,4(1H)-dionefluorous isatoic anhydrideRf-tagged isatoic anhydrideCAS 544418-04-4
Fluorous-tagged scavenger
Functions as an Rf-tagged solution-phase scavenger: the isatoic anhydride core sequesters excess primary or secondary amines from reaction mixtures. The captured material is then removed by fluorous solid-phase extraction, simplifying purification.
Fluorous synthesis and separation
The heptadecafluoroundecyl ponytail confers fluorophilicity, allowing tagged species to be partitioned and recovered using fluorous SPE or fluorous-phase techniques. This supports streamlined, chromatography-light workflows.
Amine acylation and tagging
As an isatoic anhydride, it reacts with amines to deliver anthranilamide-type products while introducing a fluorous handle. This is useful for derivatising and tracking amine-containing substrates.
Specialty and research-scale synthesis
Employed as a building block and reagent in specialty organic and medicinal-chemistry research where fluorous tagging aids handling, separation and library purification.
| Molecular weight | 623.26 |
|---|---|
| Empirical formula | C19H10F17NO3 |
| Assay | ≥97.0% |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37 |
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-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-3,1-benzoxazine-2,4(1H)-dione used for?
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It is used mainly as a fluorous (Rf-tagged) solution-phase scavenger and tagging reagent. The isatoic anhydride core captures or acylates amines, and the perfluorinated chain allows the resulting material to be separated cleanly by fluorous solid-phase extraction in fluorous and specialty synthesis.
What is the CAS number and molecular formula of this compound?
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The CAS number is 544418-04-4 and the molecular formula is C19H10F17NO3 (Hill notation), with a molecular weight of 623.26 g/mol. The MDL number is MFCD03788347.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this product at an assay of at least 97.0% as a research/technical-grade reagent for synthesis. We do not represent it as USP, BP or EP pharmacopoeial grade. A certificate of analysis can be provided with each batch on request.
What are the safety and handling considerations?
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The material is classified under GHS07 with the signal word Warning. It causes skin irritation (H315), serious eye irritation (H319) and may cause respiratory irritation (H335). Avoid breathing dust and wear suitable gloves and eye protection; in case of eye contact, rinse cautiously with water for several minutes (P261, P305+P351+P338). It is assigned Water Hazard Class WGK 3 in Germany, so prevent release to drains and watercourses. Always consult the SDS before use.
How is this product packed, shipped and exported?
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It is packed in appropriately sealed, labelled containers sized to the order, from research quantities to bulk, with full documentation. Tech Serve Solutions ships and exports worldwide in compliance with applicable transport and customs requirements; packaging and shipping particulars are confirmed at the quotation stage.
How do I request a sample or quote?
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Contact Tech Serve Solutions with your required quantity, purity and destination, and we will provide a quotation, available documentation and sample options where appropriate. Lead time and packaging are confirmed with each enquiry.
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