ácido 2,4-dimetoxifenilborónico (contiene cantidades variables de anhídrido) - ≥96% , CAS No.133730-34-4

CAS: 133730-34-4 Cat. No.: D115356 Peso molecular: 181.98 Número EC: 679-695-3

GRADE & PURITY ≥96%

Synonyms

2,4-DIMETHOXYBENZENE BORONIC ACID | DTXSID20370232 | D3521 | J-507236 | 2,4-Dimethoxybenzeneboronic Acid | 2,4-Dimethoxyphenylboronic acid | 2,4-dimethoxy-phenylboronic acid | 2,4-dimethoxy-phenyl-boronic acid | FT-0610134 | F0001-0447 | BP-12805 | MFCD01

Storage

Room temperature

Shipped In

Normal

Descripción general

aplicación：

el ácido 2,4-dimetoxifenilborónico puede utilizarse:

Como reactivo en la reacción de acoplamiento cruzado de Suzuki-Miyaura catalizada por meatal.

Para preparar hidroxi(trimetoxi)fenantreno por acoplamiento cruzado con bromo(benciloxi)metoxibenzaldehído seguido de reacción de condensación y desbencilación.

Sintetizar 2,4-dimetoxi-1-(trifluorometil)benceno mediante reacción de trifluorometilación catalizada por Cu.

Specifications

Sinónimos

2, 4-DIMETHOXYBENZENE BORONIC ACID | DTXSID20370232 | D3521 | J-507236 | 2, 4-Dimethoxybenzeneboronic Acid | 2, 4-Dimethoxyphenylboronic acid | 2, 4-dimethoxy-phenylboronic acid | 2, 4-dimethoxy-phenyl-boronic acid | FT-0610134 | F0001-0447 | BP-12805 | MFCD01

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488192546
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192546
• Sonrisas canónicas: B(C1=C(C=C(C=C1)OC)OC)(O)O
• IUPAC Name: (2,4-dimethoxyphenyl)boronic acid
• InChIKey: SQTUYFKNCCBFRR-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5,10-11H,1-2H3
• Isómeros SMILES: B(C1=C(C=C(C=C1)OC)OC)(O)O
• WGK Alemania: 3
• Peso molecular: 181.98
• Reaxy-Rn: 4744213
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4744213&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic salt - Organooxygen compound - Organoboron compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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
• Punto de fusión (°C): 125-127°C
• Peso molecular: 181.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.075 Da
• Monoisotopic Mass: 182.075 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 153.000
• 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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