tert-Butyl 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate - ≥98%

Cat. No.: T290853

GRADE & PURITY ≥98%

Synonyms

DTXSID00585948 | A896767 | tert-Butyl 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate | tert-Butyl3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate | E84582 | 1H-Indole-1-carboxylic acid, 3-f

Storage

Room temperature

Specifications

Sinónimos

DTXSID00585948 | A896767 | tert-Butyl 3-formyl-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indole-1-carboxylate | tert-Butyl3-formyl-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-indole-1-carboxylate | E84582 | 1H-Indole-1-carboxylic acid, 3-f

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3C=O)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 3-formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
• InChIKey: JESCSZOSDNZDNX-UHFFFAOYSA-N
• INCHI: 1S/C20H26BNO5/c1-18(2,3)25-17(24)22-11-13(12-23)15-10-14(8-9-16(15)22)21-26-19(4,5)20(6,7)27-21/h8-12H,1-7H3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Aryl-aldehydes Substituted pyrroles Benzenoids Vinylogous amides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic metalloid salts Organoboron compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Indole - Pyrrole-1-carboxylic acid or derivatives - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Pyrrole - Boronic acid derivative - Carbonic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Organic salt - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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

• Peso molecular: 371.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 371.19 Da
• Monoisotopic Mass: 371.19 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 584.000
• 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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