4-Methoxy-3-methylphenylboronic acid (contains varying amounts of Anhydride) - ≥98% , CAS No.175883-62-2

CAS: 175883-62-2 Cat. No.: M138383 Peso molecular: 165.98 Número EC: 681-593-9

GRADE & PURITY ≥98%

Synonyms

A812129 | MFCD02179464 | (4-methoxy-3-methyl-phenyl)boronic acid;4-Methoxy-3-methylphenylboronic Acid | FT-0643703 | AKOS004116038 | 4-Methoxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride) | M2809 | 4-Methoxy-3-methylphenylboronicAcid

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Usually used as Reactant for Preparation of hydroxyphenylnaphthols as 17β-hydroxysteroid dehydrogenase Type 2 inhibitors,Synthesis of bioactive combretastatin analogs via regioselective Suzuki coupling,Preparation of aromatic nitriles via copper-mediated cyanation.

Specifications

Sinónimos

A812129 | MFCD02179464 | (4-methoxy-3-methyl-phenyl)boronic acid;4-Methoxy-3-methylphenylboronic Acid | FT-0643703 | AKOS004116038 | 4-Methoxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride) | M2809 | 4-Methoxy-3-methylphenylboronicAcid

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: 504761827
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761827
• Sonrisas canónicas: B(C1=CC(=C(C=C1)OC)C)(O)O
• IUPAC Name: (4-methoxy-3-methylphenyl)boronic acid
• InChIKey: PXVDQGVAZBTFIB-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3
• Isómeros SMILES: B(C1=CC(=C(C=C1)OC)C)(O)O
• WGK Alemania: 3
• Peso molecular: 165.98
• Reaxy-Rn: 7475212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7475212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Ether - Organic metalloid salt - Organoboron compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Punto de fusión (°C): 205-210 °C
• Peso molecular: 165.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.08 Da
• Monoisotopic Mass: 166.08 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 140.000
• 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

XLogP3