≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CCOC(=O)C(C1=CCN(CC1)C(=O)OC(C)(C)C)(F)F |
|---|---|
| IUPAC Name | tert-butyl 4-(2-ethoxy-1,1-difluoro-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate |
| InChIKey | RCWSELSOLKJVQY-UHFFFAOYSA-N |
| INCHI | 1S/C14H21F2NO4/c1-5-20-11(18)14(15,16)10-6-8-17(9-7-10)12(19)21-13(2,3)4/h6H,5,7-9H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C(C1=CCN(CC1)C(=O)OC(C)(C)C)(F)F |
| PubChem CID | 99770759 |
| Molecular Weight | 305.32 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydropyridines |
| Alternative Parents | Carbamate esters Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydropyridine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.). |
| External Descriptors | Not available |
| Molecular Weight | 305.320 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 305.144 Da |
| Monoisotopic Mass | 305.144 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 441.000 |
| 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 |
