Cyclopropylboronic acid（contains varying amounts of Anhydride） - ≥90% , CAS No.411235-57-9

CAS: 411235-57-9 Cat. No.: C120273 Peso molecular: 85.9 Número EC: 609-890-0

GRADE & PURITY ≥90%

Synonyms

CYCLOPROPANEBORONIC ACID | cyclopropanylboronic acid | cyclopropyboronic acid | AM20100093 | A6833 | BP-10013 | cylcopropylboronic acid | DTXSID00375402 | AC-6414 | cycloproyl boronic acid | HY-59219 | STL558619 | cyclopropylboranediol | Cyclopropylboroni

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Cyclopropylboronic acid is a useful building block in Suzuki coupling. Cyclopropylboronic acid contains varying amounts of anhydride.
Reagent used for: 1.Microwave-assisted copper(II)-catalyzed N-cyclopropylation. 2.Nickel- and copper-catalyzed Suzuki-Miyaura coupling reaction of arenes. 3.Palladacycle-catalyzed Suzuki-cross coupling of aryl halides with cyclopropylboronic acid. 4.Palladium(0)-catalyzed cyclopropane C-H bond functionalization. 5.Palladium-catalyzed decarboxylative coupling. 6.Palladium-catalyzed ligand-directed oxidative functionalization of cyclopropanes. 7.Palladium-catalyzed Suzuki coupling reaction. Reagent used in Preparation of: 1.Diaryl ketones by arylation of arylboronic acids with aromatic aldehydes catalyzed by Cu(OTf)2 and Xantphos. 2.Aminothiazolylpyrrolidine-based tartrate diamides as TACE inhibitors to treat inflammatory disorders and cancer.

Specifications

Sinónimos

CYCLOPROPANEBORONIC ACID | cyclopropanylboronic acid | cyclopropyboronic acid | AM20100093 | A6833 | BP-10013 | cylcopropylboronic acid | DTXSID00375402 | AC-6414 | cycloproyl boronic acid | HY-59219 | STL558619 | cyclopropylboranediol | Cyclopropylboroni

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504761589
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761589
• Sonrisas canónicas: B(C1CC1)(O)O
• IUPAC Name: cyclopropylboronic acid
• InChIKey: WLVKDFJTYKELLQ-UHFFFAOYSA-N
• INCHI: 1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
• Isómeros SMILES: B(C1CC1)(O)O
• WGK Alemania: 3
• Peso molecular: 85.9
• Reaxy-Rn: 9385789
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9385789&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Boronic acid derivatives
      • Subclass Boronic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Boronic acid derivatives
• Subclass: Boronic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acids
• Alternative Parents: Organic metalloid salts Organic oxygen compounds Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Boronic acid - Organic metalloid salt - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic salt - Organoboron compound - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl).
• 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: Hygroscopic
• Punto de fusión (°C): 90-95°C
• Peso molecular: 85.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 86.0539 Da
• Monoisotopic Mass: 86.0539 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 50.800
• 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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