Cas no 1378359-97-7 (4-Allyl-3-methoxybenzaldehyde)

4-Allyl-3-methoxybenzaldehyde structure
4-Allyl-3-methoxybenzaldehyde structure
Product Name:4-Allyl-3-methoxybenzaldehyde
CAS No:1378359-97-7
MF:C11H12O2
MW:176.211783409119
CID:2914240
Update Time:2023-08-10

4-Allyl-3-methoxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-allyl-3-methoxybenzaldehyde
    • 4-Allyl-3-methoxybenzaldehyde
    • Inchi: 1S/C11H12O2/c1-3-4-10-6-5-9(8-12)7-11(10)13-2/h3,5-8H,1,4H2,2H3
    • InChI Key: VAPYVFRLVPRJLX-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=O)C=CC=1CC=C

Computed Properties

  • Exact Mass: 176.083729621 g/mol
  • Monoisotopic Mass: 176.083729621 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 177
  • 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
  • Molecular Weight: 176.21
  • XLogP3: 2.6
  • Topological Polar Surface Area: 26.3

4-Allyl-3-methoxybenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate
1.2 Solvents: Decalin ;  reflux
1.3 Reagents: Potassium carbonate
Reference
Facile synthesis of substituted isoquinolines
Chang, Meng-Yang; Wu, Ming-Hao; Lee, Nein-Chia; Lee, Ming-Fang, Tetrahedron Letters, 2012, 53(16), 2125-2128

4-Allyl-3-methoxybenzaldehyde Raw materials

4-Allyl-3-methoxybenzaldehyde Preparation Products

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