N-Acetyl-4-piperidone

The IUPAC name of 1-Acetyl-4-piperidone is 1-acetylpiperidin-4-one. With the CAS registry number 32161-06-1, it is also named as 4-Piperidinone, 1-acetyl-. The product's categories are Pharmaceutical Intermediates; Building Blocks; Heterocyclic Building Blocks; Piperidones. Besides, it is clear orange oily liquid, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₇H₁₁NO₂ and molecular weight is 141.17.

The other characteristics of this product can be summarized as: (1)EINECS: 250-937-6; (2)ACD/LogP: -0.94; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.94; (5)ACD/LogD (pH 7.4): -0.94; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 7.3; (9)ACD/KOC (pH 7.4): 7.3; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 35.96 cm³; (15)Molar Volume: 125.2 cm³; (16)Surface Tension: 41.2 dyne/cm; (17)Density: 1.126 g/cm³; (18)Flash Point: 87.9 °C; (19)Enthalpy of Vaporization: 45.52 kJ/mol; (20)Boiling Point: 218.8 °C at 760 mmHg; (21)Vapour Pressure: 0.124 mmHg at 25 °C.

Preparation of 1-Acetyl-4-piperidone: this chemical can be prepared by 1-(1,4-Dioxa-8-aza-sπro[4.5]dec-8-yl)-ethanone.



This reaction needs Acetonitrile, Cerium ammonium nitrate and H₂O at temperature of 70 °C. The reaction time is 4 min. The yield is 60 %.

Uses of 1-Acetyl-4-piperidone: it can react with Pyrrolidine to get 1-Acetyl-4-(1-pyrrolidinyl)-1,2,5,6-tetrahydropyridine.



This reaction needs Benzene by heating for 3 hours. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. Moreover, please do not breathe vapour. And you should avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1CCN(C(=O)C)CC1
(2)InChI: InChI=1/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
(3)InChIKey: NNFOVLFUGLWWCL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
(5)Std. InChIKey: NNFOVLFUGLWWCL-UHFFFAOYSA-N