≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Hypervalent iodine reagent employed with the Rh2(esp)2 catalyst in the amination of C-H bonds.(1)
Product application
Rh2(esp)2: An Exceptionally Efficient and Selective Catalyst for C-H Amination
Reagent for:
Preparation of α,β-unsaturated-γ-lactams via Rh-catalyzed C-H amination of allene carbamates, then Ru-catalyzed cyclocarbonylation
Palladium-catalyzed diamination
Preparation of functionalized bicyclic heterocyclic compounds by rhodium-catalyzed allene amidation and cyclization
Preparation of piperidine and pyrrolidine derivatives via copper-catalyzed intramolecular aminoacetoxylation of aminoolefins
C-H acyloxylation of arenes
Hypervalent iodine oxidant
Hypervalent iodine reagent used with the Rh2(esp)2 catalyst (662623) in the amination of C-H bonds.
| Sonrisas canónicas | CC(C)(C)C(=O)OI(C1=CC=CC=C1)OC(=O)C(C)(C)C |
|---|---|
| IUPAC Name | [2,2-dimethylpropanoyloxy(phenyl)-λ3-iodanyl] 2,2-dimethylpropanoate |
| InChIKey | DZKPLZUSZXYHFB-UHFFFAOYSA-N |
| INCHI | 1S/C16H23IO4/c1-15(2,3)13(18)20-17(12-10-8-7-9-11-12)21-14(19)16(4,5)6/h7-11H,1-6H3 |
| Isómeros SMILES | CC(C)(C)C(=O)OI(C1=CC=CC=C1)OC(=O)C(C)(C)C |
| WGK Alemania | 3 |
| PubChem CID | 11846058 |
| Peso molecular | 406.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Iodobenzenes |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acid salts Vinyl iodides Organooxygen compounds Organoiodides Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Iodobenzene - Dicarboxylic acid or derivatives - Carboxylic acid salt - Vinyl iodide - Vinyl halide - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. |
| External Descriptors | Not available |
| Sensibilidad | light sensitive;air sensitive |
|---|---|
| Punto de fusión (°C) | 104-109° C |
| Peso molecular | 406.260 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 406.064 Da |
| Monoisotopic Mass | 406.064 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
