ácido 2,4-dimetoxipirimidina-5-borónico, éster de pinacol - ≥96% , CAS No.936250-17-8

CAS: 936250-17-8 Cat. No.: D188401 Peso molecular: 266.10 Número EC: 623-079-9

GRADE & PURITY ≥96%

Synonyms

SY110310 | 2,4-dimethoxyprimidine-5-boronic acid pinacol ester | A859706 | AS-55779 | 2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester, 97% | 2,4-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

SY110310 | 2, 4-dimethoxyprimidine-5-boronic acid pinacol ester | A859706 | AS-55779 | 2, 4-Dimethoxypyrimidine-5-boronic acid pinacol ester, 97% | 2, 4-Dimethoxy-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyrimidine

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2OC)OC
• IUPAC Name: 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• InChIKey: RKHZHTLJEUBARP-UHFFFAOYSA-N
• INCHI: 1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)8-7-14-10(17-6)15-9(8)16-5/h7H,1-6H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2OC)OC
• WGK Alemania: 3
• Peso molecular: 266.10
• Reaxy-Rn: 14212829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14212829&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 Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyrimidine - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Organonitrogen compound - Organoboron compound - Organic nitrogen compound - Organic salt - Organopnictogen compound - Hydrocarbon derivative - 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 266.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 266.144 Da
• Monoisotopic Mass: 266.144 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 311.000
• 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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