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

CAS: 70523-24-9 Cat. No.: D120543 Molecular Weight: 336.15 EC Number: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504761256
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761256
• Canonical Smiles: 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
• Isomeric SMILES: B(C1=CN=C(N=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)(O)O
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 88-91°C
• Molecular Weight: 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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