2,5-Dimethoxyphenylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.107099-99-0

CAS: 107099-99-0 Cat. No.: D103234 Molecular Weight: 181.98 EC Number: 679-699-5

GRADE & PURITY ≥98%

Synonyms

AKOS004116319 | FT-0610401 | AB08674 | PS-9615 | EN300-1262825 | 2,5-Dimethoxyphenylboronic acid | DTXSID80370233 | Boronic acid, (2,5-dimethoxyphenyl)- | (2,5-dimethoxyphenyl)boronic Acid | 2,5-dimethoxyphenyl boronic acid | A2057 | Z336080040 | D3522 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS004116319 | FT-0610401 | AB08674 | PS-9615 | EN300-1262825 | 2, 5-Dimethoxyphenylboronic acid | DTXSID80370233 | Boronic acid, (2, 5-dimethoxyphenyl)- | (2, 5-dimethoxyphenyl)boronic Acid | 2, 5-dimethoxyphenyl boronic acid | A2057 | Z336080040 | D3522 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761113
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761113
• Canonical Smiles: B(C1=C(C=CC(=C1)OC)OC)(O)O
• IUPAC Name: (2,5-dimethoxyphenyl)boronic acid
• InChIKey: QOZLFNQLIKOGDR-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
• Isomeric SMILES: B(C1=C(C=CC(=C1)OC)OC)(O)O
• WGK Germany: 3
• Molecular Weight: 181.98
• Reaxy-Rn: 2969872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2969872&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 - P-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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in methanol
• Melt Point(°C): 95-98°C
• Molecular Weight: 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

References

1. Qihang Yu, Wu Tang, Yang Hu, Jian Gao, Ming Wang, Sihong Liu, Huanhuan Lai, Liang Xu, Cong Fan.  (2021)  Novel low-cost, high-energy-density (>700 Wh kg−1) Li-rich organic cathodes for Li-ion batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.128509]

2. Qihang Yu, Zeyi Yao, Jianyou Shi, Wu Tang, Chuan Wang, Di Li, Cong Fan.  (2020)  Electrochemically manipulating the redox state of 2,2′,5,5′-tetrahydroxybiphenyl as a new organic Li-rich cathode for Li-ion batteries.  ORGANIC ELECTRONICS,      [PMID:] [10.1016/j.orgel.2020.105661]

3. Zeyi Yao, Wu Tang, Xinxin Wang, Chuan Wang, Chuluo Yang, Cong Fan.  (2019)  Synthesis of 1,4-benzoquinone dimer as a high-capacity (501 mA h g−1) and high-energy-density (>1000 Wh kg−1) organic cathode for organic Li-Ion full batteries.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2019.227456]

4. Lu Lin, Zhiqing Xue, Tong Qiu, Jiaqi Zhu, Guoli Zhang, Hongtu Zhan, Kuo Wang, Xiaoqi Sun.  (2024)  Non-conjugated linkage enabling a quinone-based cathode material with long cycle life and high energy density for aqueous zinc batteries.  Energy & Environmental Science,      [PMID:] [10.1039/D4EE02097A]