2-(N,N-BisBOC-Amino)pyrimidine-5-boronic acid, pinacol ester - ≥96% , CAS No.1190423-36-9

CAS: 1190423-36-9 Cat. No.: N180003 Peso molecular: 421.3 Número EC: 830-721-3

GRADE & PURITY ≥96%

Synonyms

MFCD12913985 | F20523 | tert-Butyl (tert-butoxycarbonyl)(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)carbamate | Z2044826974 | 2-(Di-Boc-amino)pyrimidine-5-boronic Acid Pinacol Ester | di-tert-butyl[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD12913985 | F20523 | tert-Butyl (tert-butoxycarbonyl)(5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyrimidin-2-yl)carbamate | Z2044826974 | 2-(Di-Boc-amino)pyrimidine-5-boronic Acid Pinacol Ester | di-tert-butyl[5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaboro

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]carbamate
• InChIKey: SJJXYKAZGIJVQP-UHFFFAOYSA-N
• INCHI: 1S/C20H32BN3O6/c1-17(2,3)27-15(25)24(16(26)28-18(4,5)6)14-22-11-13(12-23-14)21-29-19(7,8)20(9,10)30-21/h11-12H,1-10H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Peso molecular: 421.3
• Reaxy-Rn: 20453818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20453818&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: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Heteroaromatic compounds Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
• 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: 421.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 421.238 Da
• Monoisotopic Mass: 421.238 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 604.000
• 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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