1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole - ≥97% , CAS No.1430753-39-1

CAS: 1430753-39-1 Cat. No.: B629176 Molecular Weight: 334.22 PubChem CID: 89498516

GRADE & PURITY ≥97%

Synonyms

1430753-39-1 | 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole | 1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole | SCHEMBL14858373 | MFCD31729402 | PB40642 | AS-78751 | 1-Benzyl-Indazole-5-boronic acid pinacol ester |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1430753-39-1 | 1-benzyl-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)indazole | 1-Benzyl-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indazole | SCHEMBL14858373 | MFCD31729402 | PB40642 | AS-78751 | 1-Benzyl-Indazole-5-boronic acid pinacol ester |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(N=C3)CC4=CC=CC=C4
• IUPAC Name: 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• InChIKey: GZOGMBDEHYOGCS-UHFFFAOYSA-N
• INCHI: 1S/C20H23BN2O2/c1-19(2)20(3,4)25-21(24-19)17-10-11-18-16(12-17)13-22-23(18)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(N=C3)CC4=CC=CC=C4
• PubChem CID: 89498516
• Molecular Weight: 334.22

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: Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Organonitrogen 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