3-Formyl-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.480424-49-5

CAS: 480424-49-5 Cat. No.: F138889 Peso molecular: 179.97 Número EC: 833-617-6

GRADE & PURITY ≥98%

Synonyms

MFCD08689486 | Boronic acid, B-(3-formyl-2-methoxyphenyl)- | EN300-7379778 | A827428 | SY032909 | PS-9559 | 3-Formyl-2-methoxybenzeneboronic acid | Boronic acid,B-(3-formyl-2-methoxyphenyl)- | DUROSIJIMLRFHR-UHFFFAOYSA-N | FT-0655228 | (3-formyl-2-methoxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Reactant for: . Preparation of formyl-substituted aryl MIDA boronates1 . Preparation of indolylamino phenylthienopyridine carbonitrile PKCθ inhibitors

Specifications

Sinónimos

MFCD08689486 | Boronic acid, B-(3-formyl-2-methoxyphenyl)- | EN300-7379778 | A827428 | SY032909 | PS-9559 | 3-Formyl-2-methoxybenzeneboronic acid | Boronic acid, B-(3-formyl-2-methoxyphenyl)- | DUROSIJIMLRFHR-UHFFFAOYSA-N | FT-0655228 | (3-formyl-2-methoxy

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: 504768323
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768323
• Sonrisas canónicas: B(C1=C(C(=CC=C1)C=O)OC)(O)O
• IUPAC Name: (3-formyl-2-methoxyphenyl)boronic acid
• InChIKey: DUROSIJIMLRFHR-UHFFFAOYSA-N
• INCHI: 1S/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3
• Isómeros SMILES: B(C1=C(C(=CC=C1)C=O)OC)(O)O
• WGK Alemania: 3
• Peso molecular: 179.97
• Reaxy-Rn: 18967037
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18967037&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Aryl-aldehyde - Alkyl aryl ether - Boronic acid - Boronic acid derivative - Ether - Organic metalloid salt - Organic salt - Organooxygen compound - Organoboron compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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): 128 °C
• Peso molecular: 179.970 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.059 Da
• Monoisotopic Mass: 180.059 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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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