3,4-Dimethoxyphenylboronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.122775-35-3

CAS: 122775-35-3 Cat. No.: D104292 Peso molecular: 181.98 Número EC: 679-694-8

GRADE & PURITY ≥97%

Synonyms

EN300-52543 | D3512 | FT-0614338 | 3,4-Dimethoxyphenylboronic aicd | MFCD01074574 | 3,4-Dimethoxyphenylboronicacid | 4,5-dimethoxyphenylboronic acid | (3,4-dimethoxyphenyl)boronic acid | (3,4-dimethoxyphenyl)-boronic acid | 3,4-Dimethoxyphenylboronic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

application：

3,4-Dimethoxyphenylboronic acid can be used: As a substrate in the cross-coupling reaction with 5,7-dichloropyrido[4,3-d]pyrimidine catalyzed by palladium. As a starting material for the synthesis of buflavine 1, a natural alkaloid. In one of the key synthetic steps for the preparation of lipidated malarial glycosylphosphatidylinositols (GPI) disaccharide. To prepare 3,3″,4,4″-tetramethoxy-1,1′:4′,1″-terphenyl by reacting with 1,4-dibromobenzene using Pd catalyst.

Specifications

Sinónimos

EN300-52543 | D3512 | FT-0614338 | 3, 4-Dimethoxyphenylboronic aicd | MFCD01074574 | 3, 4-Dimethoxyphenylboronicacid | 4, 5-dimethoxyphenylboronic acid | (3, 4-dimethoxyphenyl)boronic acid | (3, 4-dimethoxyphenyl)-boronic acid | 3, 4-Dimethoxyphenylboronic acid

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 504761186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761186
• Sonrisas canónicas: B(C1=CC(=C(C=C1)OC)OC)(O)O
• IUPAC Name: (3,4-dimethoxyphenyl)boronic acid
• InChIKey: RCVDPBFUMYUKPB-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3
• Isómeros SMILES: B(C1=CC(=C(C=C1)OC)OC)(O)O
• WGK Alemania: 3
• Peso molecular: 181.98
• Reaxy-Rn: 5334877
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5334877&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 - O-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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (25 g/L).
• Punto de fusión (°C): 245-250°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

XLogP3

Referencias

1. Feng Ouyang, Xiaoli Zhang, Tao Wang, Qi Shuai.  (2022)  A fluorescent turn on/off probe for glucose detection based on a boronic acid-capped 1,1′-ferrocenedicarboxylic acid functional graphene oxide.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2022.104681]