5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)oxindole - ≥96% , CAS No.837392-64-0

CAS: 837392-64-0 Cat. No.: T162172 Molecular Weight: 259.11 EC Number: 812-101-4 PubChem CID: 21931486

GRADE & PURITY ≥96%

Synonyms

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-one | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-indol-2-one | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)oxindole | FT-0718390 | PB11853 | AKOS015945124 | 1,3-Dihydro-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-(tetramethyl-1, 3, 2-dioxaborolan-2-yl)-2, 3-dihydro-1H-indol-2-one | 5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1, 3-dihydro-2H-indol-2-one | 5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)oxindole | FT-0718390 | PB11853 | AKOS015945124 | 1, 3-Dihydro-

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488199980
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199980
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)C3
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
• InChIKey: BXFPTCYBFJOZHJ-UHFFFAOYSA-N
• INCHI: 1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)C3
• PubChem CID: 21931486
• Molecular Weight: 259.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Benzenoids Dioxaborolanes Boronic acid esters Secondary carboxylic acid amides Lactams Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Chemical and Physical Properties

• Melt Point(°C): 234 °C
• Molecular Weight: 259.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.138 Da
• Monoisotopic Mass: 259.138 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 380.000
• 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

XLogP3