3,5-Dimethylphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.172975-69-8

CAS: 172975-69-8 Cat. No.: D398020 Peso molecular: 149.98 Número EC: 605-655-1

GRADE & PURITY ≥98%

Synonyms

3,5-Dimethylbenzeneboronic Acid | 3,5-Dimethylphenylboronicacid | J-507519 | m-Xylene-5-boronic Acid | AC-24810 | 3, 5-dimethylphenyl boronic acid | 3,5-dimethyl phenyl boronic acid | (3,5-dimethylphenyl)boronic Acid | AKOS BRN-0067 | BCP22767 | 3,5-Dimet

Storage

Room temperature

Shipped In

Normal

Descripción general

application：

3,5-Dimethylphenylboronic acid (DMPBA) can be used as:

A reactant in the palladium-catalyzed Suzuki coupling reactions.

A co-extractant in the combination with modified Aliquat 336 for the extraction of xylose, glucose, and fructose from aqueous solutions.

A reactant to prepare penultimate methyl ester.

Specifications

Sinónimos

3, 5-Dimethylbenzeneboronic Acid | 3, 5-Dimethylphenylboronicacid | J-507519 | m-Xylene-5-boronic Acid | AC-24810 | 3, 5-dimethylphenyl boronic acid | 3, 5-dimethyl phenyl boronic acid | (3, 5-dimethylphenyl)boronic Acid | AKOS BRN-0067 | BCP22767 | 3, 5-Dimet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761117
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761117
• Sonrisas canónicas: B(C1=CC(=CC(=C1)C)C)(O)O
• IUPAC Name: (3,5-dimethylphenyl)boronic acid
• InChIKey: DJGHSJBYKIQHIK-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3
• Isómeros SMILES: B(C1=CC(=CC(=C1)C)C)(O)O
• WGK Alemania: 3
• Peso molecular: 149.98
• Reaxy-Rn: 7368658
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7368658&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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 inflamación (°C): 142.9ºC
• Punto de ebullición (°C): 312.7ºC at 760 mmHg
• Punto de fusión (°C): 261-265°C
• Peso molecular: 149.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.085 Da
• Monoisotopic Mass: 150.085 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• 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. Shenghua Du, Shuai Huang, Ning Xie, Tong Zhang, Yaoyao Xu, Xingming Ning, Pei Chen, Xinbing Chen, Zhongwei An.  (2022)  New block poly(ether sulfone) based anion exchange membranes with rigid side-chains and high-density quaternary ammonium groups for fuel cell application.  Polymer Chemistry,  13  (30): (4395-4405).  [PMID:] [10.1039/D2PY00588C]

2. Shenghua Du, Songsong Li, Ning Xie, Yaoyao Xu, Qiang Weng, Xingming Ning, Pei Chen, Xinbing Chen, Zhongwei An.  (2022)  Development of rigid side-chain poly(ether sulfone)s based anion exchange membrane with multiple annular quaternary ammonium ion groups for fuel cells.  POLYMER,      [PMID:] [10.1016/j.polymer.2022.124919]

3. Wenjun Wu, Biaowen Wei, Jun Feng, Bin Chi, Shijun Liao, Xiuhua Li, Yigang Yu.  (2017)  Synthesis and Properties of Symmetric Side-Chain Quaternized Poly(Arylene Ether Sulfone)s for Anion Exchange Membrane Fuel Cells.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  219  (3): (1700416).  [PMID:] [10.1002/macp.201700416]

4. Liuhong Li, Xi Yue, Wenjun Wu, Wuxin Yan, Mingjian Zeng, You Zhou, Shijun Liao, Xiuhua Li.  (2016)  Multi-block copolymers with fluorene-containing hydrophilic segments densely functionalized by side-chain quaternary ammonium groups as anion exchange membranes.  RSC Advances,  6  (47): (41453-41464).  [PMID:] [10.1039/C6RA04989C]

5. Nie Guang-hui, Wu Wen-jun, Yue Xi, Liao Shi-jun, Li Xiu-hua.  (2017)  Synthesis and properties of hydroxide conductive polymers carrying dense aromatic side-chain quaternary ammonium groups.  CHINESE JOURNAL OF POLYMER SCIENCE,  35  (7): (823-836).  [PMID:] [10.1007/s10118-017-1941-6]