1,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole - ≥97% , CAS No.2454490-89-0

CAS: 2454490-89-0 Cat. No.: D633104 Molecular Weight: 272.15 PubChem CID: 155387582

GRADE & PURITY ≥97%

Synonyms

2454490-89-0 | 1,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole | 1,6-Dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole | MFCD32879449 | D96939 | 1,6-Dimethylindazole-7-boronic acid piancol ester

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2454490-89-0 | 1, 6-dimethyl-7-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)indazole | 1, 6-Dimethyl-7-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indazole | MFCD32879449 | D96939 | 1, 6-Dimethylindazole-7-boronic acid piancol ester

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=C(C=CC3=C2N(N=C3)C)C
• IUPAC Name: 1,6-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• InChIKey: XVLDWLZYVPIEGM-UHFFFAOYSA-N
• INCHI: 1S/C15H21BN2O2/c1-10-7-8-11-9-17-18(6)13(11)12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
• PubChem CID: 155387582
• Molecular Weight: 272.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Heteroaromatic compounds Dioxaborolanes Boronic acid esters Azoles Oxacyclic compounds Organic metalloid salts Hydrazones Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Benzenoid - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Azole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organoboron compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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