Cas no 403499-85-4 (2-(5-acetyl-2-methoxyphenyl)acetonitrile)

2-(5-Acetyl-2-methoxyphenyl)acetonitrile is a versatile chemical intermediate with a molecular formula of C??H??NO?. It features a methoxy-substituted aromatic ring and an acetyl group at the 5-position, along with an acetonitrile moiety, making it valuable for synthetic applications in pharmaceuticals and fine chemicals. The compound's structural characteristics enable its use in the synthesis of heterocyclic compounds and as a precursor for bioactive molecules. Its high purity and stability under standard conditions ensure reliable performance in organic reactions, including nucleophilic substitutions and cyclizations. The presence of both electron-donating (methoxy) and electron-withdrawing (acetyl) groups enhances its reactivity in targeted transformations, offering flexibility in complex molecular constructions.
2-(5-acetyl-2-methoxyphenyl)acetonitrile structure
403499-85-4 structure
Product Name:2-(5-acetyl-2-methoxyphenyl)acetonitrile
CAS No:403499-85-4
MF:C11H11NO2
MW:189.210542917252
CID:325903
PubChem ID:2454954
Update Time:2025-07-02

2-(5-acetyl-2-methoxyphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,5-acetyl-2-methoxy-
    • 2-(5-acetyl-2-methoxyphenyl)acetonitrile
    • Benzeneacetonitrile, 5-acetyl-2-methoxy- (9CI)
    • 403499-85-4
    • (5-acetyl-2-methoxyphenyl)acetonitrile
    • EN300-11582
    • SCHEMBL335266
    • FT-0712151
    • Benzeneacetonitrile,5-acetyl-2-methoxy-(9ci)
    • AKOS000118429
    • CS-0223559
    • DTXSID40368732
    • Inchi： 1S/C11H11NO2/c1-8(13)9-3-4-11(14-2)10(7-9)5-6-12/h3-4,7H,5H2,1-2H3
    • InChI Key： VPXDJSHZSNQEKJ-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(C(C)=O)=CC=1CC#N

Computed Properties

  • Exact Mass: 189.078978594g/mol
  • Monoisotopic Mass: 189.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 253
  • 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: 1.2
  • Topological Polar Surface Area: 50.1?2

2-(5-acetyl-2-methoxyphenyl)acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B402370-25mg
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4
25mg
 $ 50.00 2022-06-07
TRC
B402370-50mg
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4
50mg
 $ 70.00 2022-06-07
TRC
B402370-250mg
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4
250mg
 $ 275.00 2022-06-07
Enamine
EN300-11582-0.05g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
0.05g
 $64.0 2023-02-09
Enamine
EN300-11582-0.1g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
0.1g
 $83.0 2023-02-09
Enamine
EN300-11582-0.25g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
0.25g
 $116.0 2023-02-09
Enamine
EN300-11582-0.5g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
0.5g
 $218.0 2023-02-09
Enamine
EN300-11582-1.0g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
1.0g
 $314.0 2023-02-09
Enamine
EN300-11582-2.5g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
2.5g
 $614.0 2023-02-09
Enamine
EN300-11582-5.0g
2-(5-acetyl-2-methoxyphenyl)acetonitrile
 403499-85-4 95%
5.0g
 $908.0 2023-02-09

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