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Home > Encyclopedia > 1-(3-Fluoro-4-pyridinyl)ethanone

1-(3-Fluoro-4-pyridinyl)ethanone

1-(3-Fluoro-4-pyridinyl)ethanone structure

1-(3-Fluoro-4-pyridinyl)ethanone 

structure
  • CAS No:

    87674-21-3

  • Formula:

    C7H6FNO

  • Chemical Name:

    1-(3-Fluoro-4-pyridinyl)ethanone

  • Synonyms:

    Ethanone,1-(3-fluoro-4-pyridinyl)-;1-(3-Fluoro-4-pyridinyl)ethanone;3-Fluoro-4-acetylpyridine;1-(3-Fluoropyridin-4-yl)ethan-1-one

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

1-(3-Fluoro-4-pyridinyl)ethanone Basic Attributes

139.1270432

139.13

DTXSID60520592

2933399090

Characteristics

30

0.6

1.2±0.1 g/cm3

78 °C @ Press: 45 Torr

74℃

1.492

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-(3-Fluoro-4-pyridinyl)ethanone Use and Manufacturing

Step 2: [0377] l-(3-Fluoro-4-pyridinyl)ethanone (168). A solution of MeMgBr (3 M in EtA mixture of 1-(3-fluoropyridin-4-yl)ethanol (10 g, 70.3 mmol) and commercial activated MnOA mixture of 1- (3-FLUOROPYRIDIN-4-YL) ETHANOL (10 g, 70.3 MMOL) and commercial activated Mn02 (8 G, 92.1 MMOL) in toluene (100 mL) were REFLUXED until disappearance of starting material. After cooling the mixture was filtered on a bed of celite, the cake washed with toluene and the organic phases concentrated to give 3-FLUORO-4-ACETYL pyridine (6.9 g, 70percent) that was used directly in the next step.A mixture of 1-(3-fluoropyridin-4-yl)ethanol (10 g, 70.3 mmol) and commercial activated MnO2-Bromo-1 -(3'fluoropyridin-4-yl)ethanone hydrobromide; Into a stirred solution of 3-fluoropyridine (14 g, 144.2 rnmol) in anhydrous THF (150 mL), cooled to -78

Computed Properties

Molecular Weight:139.13
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.043341977
Monoisotopic Mass:139.043341977
Topological Polar Surface Area:30
Heavy Atom Count:10
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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