Cas no 1262967-17-8 (2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile)

2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile is a biphenyl derivative featuring a cyano group at the 4-position and three methoxy substituents at the 2', 4', and 6' positions of the second phenyl ring. This compound is of interest in organic synthesis and pharmaceutical research due to its electron-rich aromatic system and sterically hindered structure, which can influence reactivity and selectivity in cross-coupling reactions. The trimethoxy substitution pattern enhances solubility in polar organic solvents, facilitating its use in homogeneous reaction conditions. Its rigid biphenyl core and functional group compatibility make it a valuable intermediate for constructing complex molecules, particularly in medicinal chemistry and materials science applications.
2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile structure
1262967-17-8 structure
Product Name:2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile
CAS No:1262967-17-8
MF:C16H15NO3
MW:269.295204401016
CID:1094111
PubChem ID:72942947
Update Time:2025-06-23

2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile
    • 4-(2,4,6-trimethoxyphenyl)benzonitrile
    • 1262967-17-8
    • Inchi: 1S/C16H15NO3/c1-18-13-8-14(19-2)16(15(9-13)20-3)12-6-4-11(10-17)5-7-12/h4-9H,1-3H3
    • InChI Key: BGQGHHUADYGIPR-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=C(C=1C1C=CC(C#N)=CC=1)OC)OC

Computed Properties

  • Exact Mass: 269.10519334g/mol
  • Monoisotopic Mass: 269.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 329
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 51.5?2

2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Crysdot LLC
CD12156934-1g
2',4',6'-Trimethoxy-[1,1'-biphenyl]-4-carbonitrile
1262967-17-8 95+%
1g
$347 2024-07-23
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