CAS No.7516-33-8,4-Piperidinone, 1,2,5-trimethyl- Suppliers

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Pharmaceutical (19)

Basic Information

Molecular Structure:
CAS No.:	7516-33-8
Name:	4-Piperidinone, 1,2,5-trimethyl-
Article Data:	13

Formula:	C₈H₁₅NO
Molecular Weight:	141.213
Synonyms:	1,2,5-trimethyl-4-Piperidinone
Density:	0.917 g/cm³
Boiling Point:	203.362 °C at 760 mmHg
Flash Point:	71.126 °C
PSA:	20.31000
LogP:	0.85350

Synthetic route

: 13058-36-1
5-methoxy-2-methyl-1-hexen-3-one

: 74-89-5
methylamine

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
In methanol; water at 60℃; for 4h;	71.2%

: 897400-05-4
3-[(2-methoxycarbonyl-propyl)-methyl-amino]-butyric acid ethyl ester

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
Stage #1: 3-[(2-methoxycarbonyl-propyl)-methyl-amino]-butyric acid ethyl ester With ethanol; sodium In xylenes at 20 - 75℃; for 8h; Heating / reflux; Stage #2: With hydrogenchloride In water for 6h; Heating / reflux; Stage #3: With potassium hydroxide In water at 0℃; pH=10;	47%

: 60585-74-2, 127611-57-8, 127611-58-9, 127611-59-0
N-(1,2,5-trimethylpiperidylidene-4)aniline

: 6921-34-2
benzylmagnesium chloride

A: 7516-33-8
1,2,5-trimethyl-4-piperidone

B: 129115-34-0
1-methyl-2r,5c-dimethyl-4t-benzyl-4c-phenylaminopiperidine

C: 62-53-3
aniline

Conditions

Conditions	Yield
In diethyl ether for 8h; Heating;	A n/a B 46% C n/a

...Expand

: 103263-54-3
5-ethoxy-2-methyl-1-hexen-3-one

: 74-89-5
methylamine

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
In methanol; water at 60℃; for 4h;	45.5%

: 591-51-5
phenyllithium

: 113556-34-6
N-(1,2,5-trimethylpiperidinylidene-4-)-β-hydroxyethylamine

A: 7516-33-8
1,2,5-trimethyl-4-piperidone

B: 141-43-5
ethanolamine

C: 113556-41-5
1,2,5-trimethyl-4-phenyl-4-N-(β-hydroxyethyl)aminopiperidine

Conditions

Conditions	Yield
In diethyl ether	A n/a B n/a C 11%

...Expand

: 66109-81-7
2,5-dimethyl-tetrahydro-pyran-4-one

: 74-89-5
methylamine

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
With water

: 4558-87-6
2,5-dimethylpiperidin-4-one

: 74-88-4
methyl iodide

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
With 1,4-dioxane

: 820-54-2
2-methyl-hexa-1,5-dien-3-yne

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
With water; butan-1-ol Erwaermen unter Zusatz von Schwefelsaeure und Quecksilber(II)-sulfat und Erwaermen des Reaktionsgemisches mit wss. Methylamin in Aethanol;

: 13058-39-4, 105645-96-3, 105645-99-6
(E)-2-methylhexa-1,4-dien-3-one

: 74-89-5
methylamine

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
With water

: 41854-15-3
1,5-dimethoxy-2-methyl-hexan-3-one

: 74-89-5
methylamine

: 7516-33-8
1,2,5-trimethyl-4-piperidone

Conditions

Conditions	Yield
With water

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Specification

The 1,2,5-Trimethyl-4-piperidinone, with the CAS registry number 7516-33-8, is also known as 4-Piperidinone, 1,2,5-trimethyl-. This chemical's molecular formula is C₈H₁₅NO and molecular weight is 141.21. What's more, its systematic name is 1,2,5-Trimethyl-4-piperidinone.

Physical properties of 1,2,5-Trimethyl-4-piperidinone are: (1)ACD/LogP: 0.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -0.16; (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): 8.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 40.88 cm³; (15)Molar Volume: 153.989 cm³; (16)Polarizability: 16.206×10^-24cm³; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 0.917 g/cm³; (19)Flash Point: 71.126 °C; (20)Enthalpy of Vaporization: 43.958 kJ/mol; (21)Boiling Point: 203.362 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(N(C)CC1C)C
(2)Std. InChI: InChI=1S/C8H15NO/c1-6-5-9(3)7(2)4-8(6)10/h6-7H,4-5H2,1-3H3
(3)Std. InChIKey: VQHHMWWQNKUPKH-UHFFFAOYSA-N