≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | B1(OC(C(O1)(C)C)(C)C)C2=C(CN(CC2)C(=O)OC(C)(C)C)C(=O)OCC |
|---|---|
| IUPAC Name | 1-O-tert-butyl 5-O-ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate |
| InChIKey | VOAVTORWJQDFET-UHFFFAOYSA-N |
| INCHI | 1S/C19H32BNO6/c1-9-24-15(22)13-12-21(16(23)25-17(2,3)4)11-10-14(13)20-26-18(5,6)19(7,8)27-20/h9-12H2,1-8H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(CN(CC2)C(=O)OC(C)(C)C)C(=O)OCC |
| PubChem CID | 49761091 |
| Molecular Weight | 381.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkaloids and derivatives |
| Alternative Parents | Hydropyridines Enoate esters Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alkaloid or derivatives - Hydropyridine - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic metalloid moeity - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. |
| External Descriptors | Not available |
| Molecular Weight | 381.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 381.232 Da |
| Monoisotopic Mass | 381.232 Da |
| Topological Polar Surface Area | 74.300 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 619.000 |
| 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 |
