1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone - ≥97% , CAS No.2101498-92-2

CAS: 2101498-92-2 Cat. No.: E631626 Molecular Weight: 251.13 PubChem CID: 140791647

GRADE & PURITY ≥97%

Synonyms

2101498-92-2 | 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone | 1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one | starbld0029005 | MFCD32689927 | AS-78789 | D79481 | EN300

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2101498-92-2 | 1-[5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-3, 6-dihydro-2H-pyridin-1-yl]ethanone | 1-(5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)-3, 6-dihydropyridin-1(2H)-yl)ethan-1-one | starbld0029005 | MFCD32689927 | AS-78789 | D79481 | EN300

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)C
• IUPAC Name: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• InChIKey: VPMRCTHRWVIJIC-UHFFFAOYSA-N
• INCHI: 1S/C13H22BNO3/c1-10(16)15-8-6-7-11(9-15)14-17-12(2,3)13(4,5)18-14/h7H,6,8-9H2,1-5H3
• PubChem CID: 140791647
• Molecular Weight: 251.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydropyridines
• Alternative Parents: Tertiary carboxylic acid amides Dioxaborolanes Boronic acid esters Acetamides Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydropyridine - Acetamide - Tertiary carboxylic acid amide - 1,3,2-dioxaborolane - Boronic acid ester - Carboxamide group - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organoboron 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y