Cas no 279226-65-2 (2-methyl-1,3-benzoxazole-5-carbaldehyde)

2-Methyl-1,3-benzoxazole-5-carbaldehyde is a versatile heterocyclic aldehyde with a molecular formula of C9H7NO2. This compound features a benzoxazole core substituted with a methyl group at the 2-position and a formyl group at the 5-position, imparting unique reactivity for further functionalization. Its structure makes it valuable as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The aldehyde group enables condensation reactions, while the benzoxazole scaffold contributes to stability and electronic properties. The compound exhibits good thermal stability and solubility in common organic solvents, facilitating its use in multi-step synthetic routes. Its well-defined reactivity profile allows precise modifications, making it useful in medicinal chemistry for developing bioactive molecules.
2-methyl-1,3-benzoxazole-5-carbaldehyde structure
279226-65-2 structure
Product Name:2-methyl-1,3-benzoxazole-5-carbaldehyde
CAS No:279226-65-2
MF:C9H7NO2
MW:161.157382249832
MDL:MFCD19369694
CID:1036290
PubChem ID:21914225
Update Time:2025-07-02

2-methyl-1,3-benzoxazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Methylbenzo[d]oxazole-5-carbaldehyde
    • 2-?methyl-?1,?3-?benzoxazole-?5-?carbaldehyde
    • 2-Methyl-1,3-benzoxazole-5-carbaldehyde
    • SCHEMBL2818516
    • CS-0309124
    • 279226-65-2
    • AKOS016000858
    • EN300-159627
    • Z1251362210
    • DTXSID20619991
    • DA-28911
    • 2-methyl-1,3-benzoxazole-5-carbaldehyde
    • MDL： MFCD19369694
    • Inchi： 1S/C9H7NO2/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-5H,1H3
    • InChI Key： MZEDYXCHLAAZHB-UHFFFAOYSA-N
    • SMILES： O1C(C)=NC2C=C(C=O)C=CC1=2

Computed Properties

  • Exact Mass: 161.047678466g/mol
  • Monoisotopic Mass: 161.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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: 1.6
  • Topological Polar Surface Area: 43.1?2

2-methyl-1,3-benzoxazole-5-carbaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A081005429-1g
2-Methylbenzo[d]oxazole-5-carboxaldehyde
 279226-65-2 98%
1g
 $867.84 2023-09-02
Chemenu
CM162060-1g
2-methylbenzo[d]oxazole-5-carbaldehyde
 279226-65-2 95%
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Chemenu
CM162060-250mg
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 279226-65-2 95%+
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 $397 2024-07-28
Chemenu
CM162060-500mg
2-methylbenzo[d]oxazole-5-carbaldehyde
 279226-65-2 95%+
500mg
 $530 2024-07-28
Chemenu
CM162060-1g
2-methylbenzo[d]oxazole-5-carbaldehyde
 279226-65-2 95%+
1g
 $663 2024-07-28
eNovation Chemicals LLC
Y0993349-1g
2-Methyl-1,3-benzoxazole-5-carbaldehyde
 279226-65-2 95%
1g
 $700 2024-08-02
Enamine
EN300-159627-0.05g
2-methyl-1,3-benzoxazole-5-carbaldehyde
 279226-65-2 95%
0.05g
 $315.0 2023-02-14
Enamine
EN300-159627-0.1g
2-methyl-1,3-benzoxazole-5-carbaldehyde
 279226-65-2 95%
0.1g
 $470.0 2023-02-14
Enamine
EN300-159627-0.25g
2-methyl-1,3-benzoxazole-5-carbaldehyde
 279226-65-2 95%
0.25g
 $672.0 2023-02-14
Enamine
EN300-159627-0.5g
2-methyl-1,3-benzoxazole-5-carbaldehyde
 279226-65-2 95%
0.5g
 $1058.0 2023-02-14

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