3,5-Dimethoxyphenylboronic acid pinacol ester - ≥97% , CAS No.365564-07-4

CAS: 365564-07-4 Cat. No.: D169934 Molecular Weight: 264.13 EC Number: 805-549-7

GRADE & PURITY ≥97%

Synonyms

2-(3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-(1,3,2)-dioxaborolane | AB22955 | 2-(3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 1,3,2-DIOXABOROLANE, 2-(3,5-DIMETHOXYPHENYL)-4,4,5,5-TETRAMETHYL- | D5360 | doi:10.14272/CZYHRTIJLUONKY-UHFFFAO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(3, 5-dimethoxyphenyl)-4, 4, 5, 5-tetramethyl-(1, 3, 2)-dioxaborolane | AB22955 | 2-(3, 5-dimethoxyphenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 1, 3, 2-DIOXABOROLANE, 2-(3, 5-DIMETHOXYPHENYL)-4, 4, 5, 5-TETRAMETHYL- | D5360 | doi:10.14272/CZYHRTIJLUONKY-UHFFFAO

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199243
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199243
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)OC
• IUPAC Name: 2-(3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: CZYHRTIJLUONKY-UHFFFAOYSA-N
• INCHI: 1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-11(16-5)9-12(8-10)17-6/h7-9H,1-6H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)OC
• WGK Germany: 3
• Molecular Weight: 264.13
• Reaxy-Rn: 8910313
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8910313&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 Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Ether - Oxacycle - Organic salt - Organooxygen compound - Organoboron compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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): 90 °C
• Molecular Weight: 264.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.153 Da
• Monoisotopic Mass: 264.153 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 291.000
• 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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