1,4-Dioxa-8-azaspiro[4.5]decane

The 1,4-Dioxa-8-azaspiro[4.5]decane, with the CAS registry number 177-11-7, is also known as 4-Piperidone ethylene ketal. It belongs to the product categories of Piperidine; Building Blocks; Chemical Synthesis; Heterocyclic Building Blocks; Piperidones. Its EINECS number is 205-868-6. This chemical's molecular formula is C₇H₁₃NO₂ and molecular weight is 143.18. What's more, its systematic name is 1,4-Dioxa-8-azaspiro[4.5]decane.

Physical properties of 1,4-Dioxa-8-azaspiro[4.5]decane are: (1)ACD/LogP: 0.308; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.79; (4)ACD/LogD (pH 7.4): -2.65; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.49 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 37.511 cm³; (15)Molar Volume: 127.803 cm³; (16)Polarizability: 14.871×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 81.667 °C; (20)Enthalpy of Vaporization: 44.743 kJ/mol; (21)Boiling Point: 211.138 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.

Preparation: this chemical can be prepared by 8-benzyl-1,4-dioxa-8-aza-spiro[4.5]decane at the ambient temperature. This reaction will need reagent H₂ and solvent methanol with the reaction time of 6 hours. This reaction will also need catalyst 5percent Pd/C. The yield is about 85%.

Uses of 1,4-Dioxa-8-azaspiro[4.5]decane: it can be used to produce N-benzoyl-4-piperidone ethylene ketal. It will need reagent Et₃N and solvent diethyl ether with the reaction time of 2 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C2(OCC1)CCNCC2
(2)Std. InChI: InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
(3)Std. InChIKey: KPKNTUUIEVXMOH-UHFFFAOYSA-N