1-((3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)pyrrolidine - ≥97% , CAS No.1509932-05-1

CAS: 1509932-05-1 Cat. No.: T587359 Peso molecular: 337.24 PubChem CID: 74789440

GRADE & PURITY ≥97%

Synonyms

SCHEMBL15549788 | 3-(Pyrrolidin-1-ylsulfonyl)phenylboronic acid, pinacol ester | 1-((3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene)sulfonyl)pyrrolidine | 1-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene]sulfonyl}pyrrolidine | 1-[3-(4,4,5,5-tetramethyl-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL15549788 | 3-(Pyrrolidin-1-ylsulfonyl)phenylboronic acid, pinacol ester | 1-((3-(tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzene)sulfonyl)pyrrolidine | 1-{[3-(tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzene]sulfonyl}pyrrolidine | 1-[3-(4, 4, 5, 5-tetramethyl-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504772363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772363
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3
• IUPAC Name: 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyrrolidine
• InChIKey: KSYYYRXOMWSFOC-UHFFFAOYSA-N
• INCHI: 1S/C16H24BNO4S/c1-15(2)16(3,4)22-17(21-15)13-8-7-9-14(12-13)23(19,20)18-10-5-6-11-18/h7-9,12H,5-6,10-11H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3
• PubChem CID: 74789440
• Peso molecular: 337.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Organosulfonamides Sulfonyls Pyrrolidines Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Boronic acid ester - 1,3,2-dioxaborolane - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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: 337.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 337.152 Da
• Monoisotopic Mass: 337.152 Da
• Topological Polar Surface Area: 64.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 521.000
• 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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