3-Methoxyphenylboronic acid（contains varying amounts of Anhydride） - ≥97% , CAS No.10365-98-7

CAS: 10365-98-7 Cat. No.: M109430 Molecular Weight: 151.96 Beilstein Registry Number: 2831223 EC Number: 600-467-6

GRADE & PURITY ≥97%

Synonyms

M1322 | 3-Methoxybenzeneboronic acid | 3-methoxybenzene-boronic acid | NCGC00249569-01 | (3-Methoxyphenyl)Boranediol | BDBM26127 | M-ANISYLBORONIC ACID | SY001862 | [3-(methyloxy)phenyl]boronic acid | HY-W000854 | A1871 | AS-2330 | DTXSID50370260 | EN300-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

M1322 | 3-Methoxybenzeneboronic acid | 3-methoxybenzene-boronic acid | NCGC00249569-01 | (3-Methoxyphenyl)Boranediol | BDBM26127 | M-ANISYLBORONIC ACID | SY001862 | [3-(methyloxy)phenyl]boronic acid | HY-W000854 | A1871 | AS-2330 | DTXSID50370260 | EN300-

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 488192560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192560
• Canonical Smiles: B(C1=CC(=CC=C1)OC)(O)O
• IUPAC Name: (3-methoxyphenyl)boronic acid
• InChIKey: NLLGFYPSWCMUIV-UHFFFAOYSA-N
• INCHI: 1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
• Isomeric SMILES: B(C1=CC(=CC=C1)OC)(O)O
• WGK Germany: 3
• Molecular Weight: 151.96
• Beilstein: 2831223
• Reaxy-Rn: 2831223
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2831223&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Methanol
• Melt Point(°C): 160-162°C
• Molecular Weight: 151.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.064 Da
• Monoisotopic Mass: 152.064 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 118.000
• 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. Pijun Gong, Feng He, Junlin Xie, Haitao Wu.  (2022)  Effect of multi-layered nanosheets γ-Al2O3 with (110) facets on zinc deactivation resistance for Ce–Ti SCR catalyst.  JOURNAL OF THE ENERGY INSTITUTE,      [PMID:] [10.1016/j.joei.2022.01.015]

2. Xiao Yu, Qi Liu, Zhenqian Wu, Wenxia Zhao, Ruimei Xu, Yong Liu.  (2021)  Mechanical Stirring Synthesis of 1D Electrode Materials and Designing of Pyramid/Inverted Pyramid Interlocking for Highly Flexible and Foldable Li-Ion Batteries with High Mass Loading.  ACS Applied Materials & Interfaces,      [PMID:34369143] [10.1021/acsami.1c09313]

3. Ye Zhang, Zhen-An Qiao, Junmin Liu, Xue Wang, Shuo Yao, Tao Wang, Bing Liu, Yali Ma, Yunling Liu, Qisheng Huo.  (2015)  Ti(IV) oxalate complex-derived hierarchical hollow TiO2 materials with dye degradation properties in water.  DALTON TRANSACTIONS,  45  (1): (265-270).  [PMID:26597722] [10.1039/C5DT03291A]

4. Ye Zhang, Buyuan Guan, Duihai Tang, Xue Wang, Tao Wang, Bo Zhi, Dongmei Wang, Xiang Li, Yunling Liu, Qisheng Huo.  (2014)  Tailored synthesis of hierarchical spinous hollow titania hexagonal prisms via a self-template route.  Nanoscale,  6  (22): (13915-13920).  [PMID:25310679] [10.1039/C4NR03746D]