2,4-Dibenzyloxypyrimidine-5-boronic acid (contains varying amounts of Anhydride) - ≥95% , CAS No.70523-24-9

CAS: 70523-24-9 Cat. No.: D120543 Peso molecular: 336.15 Número EC: 676-979-9

GRADE & PURITY ≥95%

Synonyms

70523-24-9|2,4-BIS(BENZYLOXY)PYRIMIDINE-5-BORONIC ACID|2,4-bis(benzyloxy)pyrimidin-5-ylboronic acid|[2,4-bis(phenylmethoxy)pyrimidin-5-yl]boronic Acid|(2,4-bis(benzyloxy)pyrimidin-5-yl)boronic acid|2,4-Bis(benzyloxy)pyrimidin-5-ylboronic acid;2,4-Bis(benz

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application：

2,4-Bis(benzyloxy)pyrimidine-5-boronic Acid is used as a reactant in the design and synthesis of acyclic fleximer nucleoside analogues.

Specifications

Sinónimos

70523-24-9 | 2, 4-BIS(BENZYLOXY)PYRIMIDINE-5-BORONIC ACID | 2, 4-bis(benzyloxy)pyrimidin-5-ylboronic acid | [2, 4-bis(phenylmethoxy)pyrimidin-5-yl]boronic Acid | (2, 4-bis(benzyloxy)pyrimidin-5-yl)boronic acid | 2, 4-Bis(benzyloxy)pyrimidin-5-ylboronic acid;2, 4-Bis(benz

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761256
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761256
• Sonrisas canónicas: B(C1=CN=C(N=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)(O)O
• IUPAC Name: [2,4-bis(phenylmethoxy)pyrimidin-5-yl]boronic acid
• InChIKey: HVVGEQHZGHNHJD-UHFFFAOYSA-N
• INCHI: 1S/C18H17BN2O4/c22-19(23)16-11-20-18(25-13-15-9-5-2-6-10-15)21-17(16)24-12-14-7-3-1-4-8-14/h1-11,22-23H,12-13H2
• Isómeros SMILES: B(C1=CN=C(N=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)(O)O
• Peso molecular: 336.15
• Reaxy-Rn: 964267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=964267&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organoboron compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Punto de fusión (°C): 88-91°C
• Peso molecular: 336.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 336.128 Da
• Monoisotopic Mass: 336.128 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 376.000
• 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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