4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine - ≥98% , CAS No.942919-26-8

CAS: 942919-26-8 Cat. No.: T178383 Peso molecular: 244.1 Número EC: 857-462-9 PubChem CID: 49758871

GRADE & PURITY ≥98%

Synonyms

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, AldrichCPR | 7-Azaindole-4-boronic acid pinacol ester | 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine | 1H-Pyrrolo[2,3-b]pyridine, 4-(4,4,5,5-tetrameth

Storage

Protegido de la luz,Temperatura ambiente

Shipped In

Normal

Descripción general

Aplicación：

la 4-(4,4,5,5-Tetrametil-1,3,2-dioxaborolan-2-il)-1H-pirrolo[2,3-b]piridina se utiliza en síntesis orgánica, en particular, la de nuevas Tetrahidropirazolo[1,5-a]pirazinas potentes y selectivas como inhibidores de ATR

Specifications

Sinónimos

4-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-pyrrolo[2, 3-b]pyridine, AldrichCPR | 7-Azaindole-4-boronic acid pinacol ester | 4-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)-1H-pyrrolo[2, 3-b]pyridine | 1H-Pyrrolo[2, 3-b]pyridine, 4-(4, 4, 5, 5-tetrameth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201420
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=NC=C2
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• InChIKey: OYFHAWAVFVJOBN-UHFFFAOYSA-N
• INCHI: 1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11/h5-8H,1-4H3,(H,15,16)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=NC=C2
• PubChem CID: 49758871
• Peso molecular: 244.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyridines and derivatives Pyrroles 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: Pyrrolopyridine - Pyridine - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Pyrrole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 405.7°C at 760 mmHg
• Peso molecular: 244.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 244.138 Da
• Monoisotopic Mass: 244.138 Da
• Topological Polar Surface Area: 47.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 319.000
• 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

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