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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)OC |
|---|---|
| IUPAC Name | 1-O-tert-butyl 4-O-methyl 3,6-dihydro-2H-pyridine-1,4-dicarboxylate |
| InChIKey | BNDRQMFIDHTNGI-UHFFFAOYSA-N |
| INCHI | 1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h5H,6-8H2,1-4H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)OC |
| Alternate CAS | 184368-74-9 |
| PubChem CID | 11806782 |
| Molecular Weight | 241.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Methyl esters Enoate esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydropyridine - Carbamic acid ester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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 | 241.280 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 241.131 Da |
| Monoisotopic Mass | 241.131 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| 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 |