Cas no 886364-74-5 (1-(5-methoxypyridin-3-yl)ethan-1-one)

1-(5-Methoxypyridin-3-yl)ethan-1-one is a versatile organic compound featuring a pyridine core substituted with a methoxy group at the 5-position and an acetyl group at the 3-position. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its electron-rich pyridine ring enhances its utility in cross-coupling reactions, while the acetyl group allows for further functionalization, such as condensation or reduction. The methoxy substituent contributes to stability and modulates electronic properties, facilitating selective transformations. This compound is particularly useful in the development of heterocyclic frameworks, offering a balance of reactivity and handling stability for synthetic applications.
1-(5-methoxypyridin-3-yl)ethan-1-one structure
886364-74-5 structure
Product Name:1-(5-methoxypyridin-3-yl)ethan-1-one
CAS No:886364-74-5
MF:C8H9NO2
MW:151.162562131882
MDL:MFCD07375082
CID:837937
PubChem ID:17883611
Update Time:2025-05-27

1-(5-methoxypyridin-3-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(5-METHOXYPYRIDIN-3-YL)ETHANONE
    • 1-(5-Methoxy-3-pyridinyl)ethanone (ACI)
    • 1-(5-methoxypyridin-3-yl)ethan-1-one
    • MDL： MFCD07375082
    • Inchi： 1S/C8H9NO2/c1-6(10)7-3-8(11-2)5-9-4-7/h3-5H,1-2H3
    • InChI Key： NCDNULVIERIXPT-UHFFFAOYSA-N
    • SMILES： O=C(C)C1C=C(OC)C=NC=1

Computed Properties

  • Exact Mass: 151.06300
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 39.19000
  • LogP: 1.29280

1-(5-methoxypyridin-3-yl)ethan-1-one Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Hazardous Material Identification： Xn
  • HazardClass：IRRITANT

1-(5-methoxypyridin-3-yl)ethan-1-one Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(5-methoxypyridin-3-yl)ethan-1-one Pricemore >>

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1-(5-methoxypyridin-3-yl)ethan-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Palladium diacetate ,  1,1-Bis(diphenylphosphino)ferrocene Solvents: Ethylene glycol ;  rt
1.2 Reagents: Triethylamine ;  1.0 h, 140 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  0.5 h, rt
Reference
Palladium-catalyzed regiocontrolled internal heteroarylation of electron-rich olefins with heteroaryl halides
Xu, Dan; Liu, Zhihua; Tang, Weijun; Xu, Lijin; Hyder, Zeynab; et al, Tetrahedron Letters, 2008, 49(42), 6104-6107

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Permanganic acid (HMnO4), potassium salt (1:1) ,  Periodic acid (H5IO6), sodium salt (1:3) Solvents: Acetonitrile ,  Water ;  0.5 h, pH 8 - 9, 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  0.1 h, pH 3 - 4, 25 °C
1.3 Reagents: Sodium thiosulfate Solvents: Dichloromethane ,  Water ;  25 °C
Reference
Chemoselective, osmium-free, dihydroxylation/oxidative cleavage of heteroaryl isoprenes by a contemporary Malaprade reaction
Gulledge, Zachary Z.; Pinson, Connor C.; Stovall, Alexander M.; Dzeagu, Fortune O.; Carrick, Jesse D., Organic & Biomolecular Chemistry, 2022, 20(40), 7916-7922

1-(5-methoxypyridin-3-yl)ethan-1-one Raw materials

1-(5-methoxypyridin-3-yl)ethan-1-one Preparation Products

1-(5-methoxypyridin-3-yl)ethan-1-one Related Literature

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