Cas no 859046-10-9 (1-(1,3-oxazol-4-yl)ethan-1-one)

1-(1,3-oxazol-4-yl)ethan-1-one structure
859046-10-9 structure
Product Name:1-(1,3-oxazol-4-yl)ethan-1-one
CAS No:859046-10-9
MF:C5H5NO2
MW:111.098701238632
MDL:MFCD18250706
CID:2950200
PubChem ID:22220875
Update Time:2024-10-26

1-(1,3-oxazol-4-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1 - 惡唑-4-乙酮
    • 1-OXAZOL-4-YL-ETHANONE
    • 1-(OXAZOL-4-YL)ETHANONE
    • 1-(1,3-OXAZOL-4-YL)ETHANONE
    • 4-acetyloxazole
    • 1-(oxazol-4-yl)ethan-1-one
    • 9362AH
    • 1-(1,3-oxazol-4-yl)ethan-1-one
    • AB73503
    • AT18593
    • 1-(4-Oxazolyl)ethanone (ACI)
    • Z1255437997
    • NGZJBIGWTNAOPZ-UHFFFAOYSA-N
    • A1-15644
    • MFCD18250706
    • SY310747
    • EN300-1666472
    • DB-131339
    • SCHEMBL2632849
    • 1-(4-Oxazolyl)ethanone
    • CS-0147273
    • 1-oxazol-4-ylethanone
    • 859046-10-9
    • AKOS022719718
    • MDL: MFCD18250706
    • Inchi: 1S/C5H5NO2/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
    • InChI Key: NGZJBIGWTNAOPZ-UHFFFAOYSA-N
    • SMILES: O1C=NC(=C1)C(C)=O

Computed Properties

  • Exact Mass: 111.032028402g/mol
  • Monoisotopic Mass: 111.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 103
  • 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: 0.4
  • Topological Polar Surface Area: 43.1

1-(1,3-oxazol-4-yl)ethan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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859046-10-9 96%
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JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBT6525-100mg
1-oxazol-4-ylethanone
859046-10-9 95%
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¥446.0 2024-04-16
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBT6525-250mg
1-oxazol-4-ylethanone
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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1-(Oxazol-4-yl)ethan-1-one
859046-10-9 98%
100mg
¥589.00 2024-07-28

1-(1,3-oxazol-4-yl)ethan-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Chlorodimethylaluminum Solvents: Dichloromethane ;  0 °C; 0 °C → rt; 90 min, rt
1.2 Solvents: Dichloromethane ;  rt; 90 min, rt
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 7, cooled
2.1 Solvents: Tetrahydrofuran ;  0 °C; 1 h, 0 °C
2.2 Reagents: Ammonium chloride Solvents: Water ;  0 °C
Reference
Total Synthesis of (+)-Ileabethoxazole via an Iron-Mediated Pauson-Khand [2 + 2 + 1] Carbocyclization
Williams, David R.; et al, Journal of the American Chemical Society, 2014, 136(24), 8829-8836

Production Method 2

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  0 °C; 1 h, 0 °C
1.2 Reagents: Ammonium chloride Solvents: Water ;  0 °C
Reference
Total Synthesis of (+)-Ileabethoxazole via an Iron-Mediated Pauson-Khand [2 + 2 + 1] Carbocyclization
Williams, David R.; et al, Journal of the American Chemical Society, 2014, 136(24), 8829-8836

1-(1,3-oxazol-4-yl)ethan-1-one Raw materials

1-(1,3-oxazol-4-yl)ethan-1-one Preparation Products

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