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6304-16-1

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6304-16-1 Structure

6304-16-1 Structure

Identification	More
[Name] 4-Pyridyl acetone
[CAS] 6304-16-1
[Synonyms] 1-(4-PYRIDINYL)-2-PROPANONE 1-(4-Pyridyl)acetone 1-(PYRIDIN-4-YL)PROPAN-2-ONE (4-PYRIDYL)ACETONE (PYRIDIN-4-YL)ACETONE 1-(4-Pyridyl)-2-propanone 4-Pyridinolacetone (4-Pyridyl)acetone,98% 1-(4-Pyridinyl)-2-propanone CAS: (4-PYRIDINEYL)-ACETONE 1-(4-Pyridyl)-2-acetone 4-ACETONYLPYRIDINE
[EINECS(EC#)] 228-605-7
[Molecular Formula] C8H9NO
[MDL Number] MFCD00129043
[Molecular Weight] 135.16
[MOL File] 6304-16-1.mol

Questions And Answer	Back Directory
[Description] 1-(4-pyridyl)acetone is a yellow liquid, which is a key intermediate for synthesizing cardiac drug Milrinone.
[Preparation] 4-Pyridyl acetone can be prepared by reacting with 4-picoline and phenyllithium and ethyl acetate.

Chemical Properties	Back Directory
[Melting point ] 13°C
[Boiling point ] 143°C 20mm
[density ] 1.046±0.06 g/cm3(Predicted)
[refractive index ] 1.5225
[Fp ] 143°C/20mm
[storage temp. ] Inert atmosphere,Room Temperature
[solubility ] Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ] Oil
[pka] 4.90±0.10(Predicted)
[color ] Light Brown to Brown
[Water Solubility ] Slightly soluble in water.
[BRN ] 110960
[InChI] InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
[InChIKey] ILRVKOYYFFNXDB-UHFFFAOYSA-N
[SMILES] C(C1C=CN=CC=1)C(=O)C
[CAS DataBase Reference] 6304-16-1(CAS DataBase Reference)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ] 29337900

Raw materials And Preparation Products	Back Directory
[Raw materials] Ethanol-->Ethyl acetate-->Tetrahydrofuran-->Acetic acid-->Petroleum ether-->Chloroform-->n-Butyllithium-->Diisopropylamine-->Hexamethylphosphoramide-->4-Methylpyridine-->Phenyllithium-->N-methoxy-N-methyl-2-(pyridin-4-yl)acetamide-->4-Pyridineacetic acid hydrochloride-->Propyl acetate-->Methyl acetate-->Acetyl chloride-->Methylmagnesium Bromide-->Pyridine
[Preparation Products] Milrinone

Hazard Information	Back Directory
[Chemical Properties] Liquid. Boiling point 130-132℃/1.5kPa.
[Physical properties] 4-pyridyl acetone is a Light yellow to yellow liquid.
[Uses] (4-Pyridyl)acetone is a reactant in the synthesis of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic.
[Synthesis Reference(s)] Tetrahedron Letters, 25, p. 3297, 1984 DOI: 10.1016/S0040-4039(01)81368-X

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Pyridyl acetone(6304-16-1)¹HNMR 4-Pyridyl acetone(6304-16-1)FT-IR

Well-known Reagent Company Product Information	Back Directory
[Alfa Aesar] (4-Pyridyl)acetone, 98%(6304-16-1)

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