1-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole - ≥98% , CAS No.552846-17-0

CAS: 552846-17-0 Cat. No.: T162441 Peso molecular: 294.16 Número EC: 676-377-6 PubChem CID: 16217654

GRADE & PURITY ≥98%

Synonyms

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-carboxylate | Z1263597321 | tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxy late | FT-0649384 | n-boc-pyrazole-4-boronic acid pinacol ester | 1-(tert-Butoxyca

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Application：

Reagent used for Suzuki Coupling and Copper-catalyzed azidation；

Reagent used in Preparation of Selective quinazolinyl-phenol inhibitors of CHK1 as potential antitumors and radioprotectants and Stereoselective synthesis of selective Cathepsin inhibitors；

Specifications

Sinónimos

tert-butyl 4-(tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-pyrazol-1-carboxylate | Z1263597321 | tert-butyl 4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxy late | FT-0649384 | n-boc-pyrazole-4-boronic acid pinacol ester | 1-(tert-Butoxyca

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 488199242
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199242
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
• InChIKey: IPISOFJLWYBCAV-UHFFFAOYSA-N
• INCHI: 1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C
• PubChem CID: 16217654
• Peso molecular: 294.16
• Reaxy-Rn: 11962435

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Dioxaborolanes Boronic acid esters Organic carbonic acids and derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-1-carboxylic acid or derivatives - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Carbonic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic salt - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Heat Sensitive
• Punto de fusión (°C): 86 °C
• Peso molecular: 294.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 294.175 Da
• Monoisotopic Mass: 294.175 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 404.000
• 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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