4-[2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine - ≥97% , CAS No.1313738-69-0

CAS: 1313738-69-0 Cat. No.: D173325 Peso molecular: 325.16 PubChem CID: 66521706

GRADE & PURITY ≥97%

Synonyms

MFCD18375252 | 3,5-DIFLUORO-4-MORPHOLINOPHENYLBORONIC ACID PINACOL ESTER | 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine | FT-0684662 | 1313738-69-0 | 3,5-DIFLUORO-4-MORPHOLINOPHENYLBORONICACIDPINACOLESTER | TQP0038 | 4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD18375252 | 3, 5-DIFLUORO-4-MORPHOLINOPHENYLBORONIC ACID PINACOL ESTER | 4-[2, 6-difluoro-4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]morpholine | FT-0684662 | 1313738-69-0 | 3, 5-DIFLUORO-4-MORPHOLINOPHENYLBORONICACIDPINACOLESTER | TQP0038 | 4-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)N3CCOCC3)F
• IUPAC Name: 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
• InChIKey: DXHKMVVLQQJTIM-UHFFFAOYSA-N
• INCHI: 1S/C16H22BF2NO3/c1-15(2)16(3,4)23-17(22-15)11-9-12(18)14(13(19)10-11)20-5-7-21-8-6-20/h9-10H,5-8H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)N3CCOCC3)F
• PubChem CID: 66521706
• Peso molecular: 325.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aniline or substituted anilines - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Organic metalloid salt - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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: 325.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 325.166 Da
• Monoisotopic Mass: 325.166 Da
• Topological Polar Surface Area: 30.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 404.000
• 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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