2-Hydroxypyrimidine-5-boronic acid pinacol ester - ≥95% , CAS No.1073354-84-3

CAS: 1073354-84-3 Cat. No.: H165797 Peso molecular: 222.05 Número EC: 681-247-7

GRADE & PURITY ≥95%

Synonyms

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2(1H)-one | MFCD09037497 | 5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIMIDIN-2-OL | BS-23296 | J-001854 | 2-Hydroxypyrimidine-5-boronic acid pinacol ester | AB49469 | 5-(4,4,5,5-tetramethyl-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

5-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyrimidin-2(1H)-one | MFCD09037497 | 5-(4, 4, 5, 5-TETRAMETHYL-[1, 3, 2]DIOXABOROLAN-2-YL)PYRIMIDIN-2-OL | BS-23296 | J-001854 | 2-Hydroxypyrimidine-5-boronic acid pinacol ester | AB49469 | 5-(4, 4, 5, 5-tetramethyl-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)N=C2
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrimidin-2-one
• InChIKey: JRCSRFGCQSLWNZ-UHFFFAOYSA-N
• INCHI: 1S/C10H15BN2O3/c1-9(2)10(3,4)16-11(15-9)7-5-12-8(14)13-6-7/h5-6H,1-4H3,(H,12,13,14)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)N=C2
• Peso molecular: 222.05
• Reaxy-Rn: 36951268
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36951268&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Heteroaromatic compounds 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: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: 222.050 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 222.118 Da
• Monoisotopic Mass: 222.118 Da
• Topological Polar Surface Area: 59.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 372.000
• 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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