4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl- supplier

Name
N-BUTYL TRIACETONEDIAMINE
EINECS 252-899-6
CAS No. 36177-92-1
Article Data14
CAS DataBase
Density 0.87 g/cm³
Solubility 797.5g/L at 20℃
Melting Point
Formula C₁₃H₂₈N₂
Boiling Point 249.7 °C at 760 mmHg
Molecular Weight 212.379
Flash Point 97 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2,2,6,6-Tetramethyl-4-(butylamino)piperidine;4-(Butylamino)-2,2,6,6-tetramethylpiperidine;4-N-Butylamino-2,2,6,6-tetramethylpiperidine;Butyl-(2,2,6,6-tetramethylpiperidin-4-yl)-amine;N-(2,2,6,6-Tetramethyl-4-piperidinyl)butylamine;N-(2,2,6,6-Tetramethyl-4-piperidyl)butanamine;N-Butyl-2,2,6,6-tetramethyl-4-piperidinamine;N-Butyl-2,2,6,6-tetramethyl-4-piperidineamine;
PSA 24.06000
LogP 3.40500

Synthetic route

: 826-36-8
2,2,6,6-Tetramethyl-4-piperidone

: 109-73-9
N-butylamine

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

Conditions

Conditions	Yield
Pt on carbon In water	98%
With hydrogen at 100℃; under 6750.68 Torr; for 5h; Pressure; Temperature; Autoclave;	97.4%
Stage #1: 2,2,6,6-Tetramethyl-4-piperidone; N-butylamine With acetic acid at 25℃; for 12h; Stage #2: With methanol; sodium tetrahydroborate for 8h; Temperature; Reagent/catalyst;	95.2%

: 36768-62-4
4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE

: 123-72-8
butyraldehyde

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

Conditions

Conditions	Yield
With hydrogen In toluene at 60 - 120℃; under 7500.75 Torr; for 5h; Reagent/catalyst; Autoclave;	15%

: 826-36-8
2,2,6,6-Tetramethyl-4-piperidone

: 109-73-9
N-butylamine

A: 2403-88-5
4-hydroxy-2,2,6,6-tetramethylpiperidine

B: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

Conditions

Conditions	Yield
With hydrogen In 1,4-dioxane at 120℃; under 30003 Torr;

...Expand

: 826-36-8
2,2,6,6-Tetramethyl-4-piperidone

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol / Reflux 2: 5%-palladium/activated carbon; hydrogen / cyclohexane / 4 h / 60 - 120 °C / 11251.1 Torr / Autoclave View Scheme

: 35517-43-2
butyl-(2,2,6,6-tetramethyl-piperidin-4-ylidene)-amine

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In cyclohexane at 60 - 120℃; under 11251.1 Torr; for 4h; Autoclave;

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 2-chloro-4,6-bis-((2,2,6,6-tetramethyl-piperidin-4-yl)butylamino)-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene at 60℃; for 12h; Reagent/catalyst; Solvent; Temperature; Cooling with ice;	98.3%
With sodium carbonate In toluene at 80℃; for 3h; Product distribution / selectivity;
With sodium carbonate In toluene at 80℃; for 3h; Product distribution / selectivity;
Stage #1: 1,3,5-trichloro-2,4,6-triazine; 4-n-butylamino-2,2,6,6-tetramethylpiperidine In xylene at 20℃; for 0.5h; Stage #2: With sodium hydroxide In water; xylene at 20 - 95℃; for 2h;
With potassium hydroxide In water; toluene at 20 - 45℃; Reagent/catalyst; Solvent;

: 50-00-0
formaldehyd

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 36177-99-8
butyl-methyl-(1,2,2,6,6-pentamethyl-piperidin-4-yl)-amine

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol; water at 80 - 140℃; under 15001.5 - 31503.2 Torr; Solvent; Autoclave;	93.7%

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 124172-46-9
N-butyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)formamide

Conditions

Conditions	Yield
With acetic acid; boric acid In xylene for 6h; Inert atmosphere; Reflux;	92%

: C90H165Cl3N22O3

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C129H246N28O3

Conditions

Conditions	Yield
With sodium hydroxide In water; xylene Reflux;	90.9%

: 67-66-3
chloroform

: 128-39-2
2,6-di-tert-butylphenol

: 108-94-1
cyclohexanone

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-cyclohexanecarboxylic acid butyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amide

Conditions

Conditions	Yield
With sodium hydroxide at 10℃;	85%

...Expand

: 4090-55-5
2-chloro-5,5-dimethyl[1,3,2]dioxaphosphinane 2-oxide

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 2-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-5,5-dimethyl[1,3,2]dioxaphosphinane-2-oxide

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 7h; Inert atmosphere; Reflux;	81.7%

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 52191-15-8
4-(2-bromoethyloxy)benzaldehyde

: C22H36N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Reflux;	78.2%

: 50-00-0
formaldehyd

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

A: C14H30N2

B: 36177-99-8
butyl-methyl-(1,2,2,6,6-pentamethyl-piperidin-4-yl)-amine

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In methanol; water at 80 - 140℃; under 15001.5 - 31503.2 Torr; Autoclave;	A 77.8% B n/a

...Expand

: 1372610-77-9
C78H144Cl2N16O4

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C104H198N20O4

Conditions

Conditions	Yield
With sodium hydroxide In water; xylene for 20h;	76%

: C15H13BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C28H40N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Reflux;	75.2%

: 67-66-3
chloroform

: 128-39-2
2,6-di-tert-butylphenol

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 67-64-1
acetone

: N-butyl-2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-isobutyramide

Conditions

Conditions	Yield
With sodium hydroxide at 10℃;	75%

...Expand

: 197514-15-1
(3-chloro-propyl)-dodecyl sulfide

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 745044-20-6
C28H58N2S

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 20h;	73%

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 72621-19-3
4-(4-bromobutoxy)benzaldehyde

: C24H40N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Reflux;	69.7%

: 20256-76-2
glycidyl n-dodecyl thioether

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C28H58N2OS

Conditions

Conditions	Yield
at 110℃; for 25h;	69%

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 61260-55-7
N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,6-diaminohexane

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 210988-99-1
N,N'-bis-(2,2,6,6-tetramethylpiperidin-4-yl)-N,N'-bis-{2,4-bis-{n-butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino}-[1,3,5]triazin-6-yl}hexane-1,6-diamine

Conditions

Conditions	Yield
Stage #1: 1,3,5-trichloro-2,4,6-triazine; 4-n-butylamino-2,2,6,6-tetramethylpiperidine With sodium hydroxide In water; toluene at 70℃; for 1h; Inert atmosphere; Stage #2: N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,6-diaminohexane In water; toluene at 20℃; Reflux; Inert atmosphere;	69%

...Expand

: C29H23BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C42H50N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Reflux;	66.5%

: 1722-19-6
2,4-dichloro-6-(diethylamino)-1,3,5-triazine

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 2,4-bis[N-(2,2,6,6-tetramethylpiperidin-4-yl)-n-butylamino]-6-diethylamino-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene	66%

: C17H17BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C30H44N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Reflux;	65.8%

: C31H27BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C44H54N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Reflux;	62.1%

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 141823-14-5
4-((6-bromohexyl)oxy)benzaldehyde

: C26H44N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	58.3%

: C19H21BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C32H48N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	54.3%

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 4-(8-bromooctane-1-oxy)benzaldehyde

: C28H48N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	51.7%

: C33H31BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C46H58N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	50.3%

: C21H25BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C34H52N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	49.2%

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: 143773-73-3
4-(10-bromo-n-decyloxy)benzaldehyde

: C30H52N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	46.1%

: C35H35BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C48H62N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 16h; Reflux;	44.2%

: C23H29BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C36H56N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Reflux;	42.1%

: 4-(12-bromo-dodecyloxy)-benzaldehyde

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C32H56N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Reflux;	39.6%

: C37H39BrO2

: 36177-92-1
4-n-butylamino-2,2,6,6-tetramethylpiperidine

: C50H66N2O2

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Reflux;	39.3%

4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl- Specification

The 4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl-, with the CAS registry number 36177-92-1, has the IUPAC name N-butyl-2,2,6,6-tetramethylpiperidin-4-amine. Its molecular formula is C₁₃H₂₈N₂ and its molecular weight is 212.37. Additionally, its classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].

Other characteristics of the 4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl- can be summarised as followings: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 67.48 cm³; (15)Molar Volume: 241.4 cm³; (16)Polarizability: 26.75×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.87 g/cm³; (19)Flash Point: 97 °C; (20)Enthalpy of Vaporization: 48.69 kJ/mol; (21)Boiling Point: 249.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0226 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N(C1CC(NC(C)(C)C1)(C)C)CCCC
2.InChI: InChI=1/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3
3.InChIKey: FDAKZQLBIFPGSV-UHFFFAOYAH

Product Name

N-BUTYL TRIACETONEDIAMINE

Synthetic route

4-Piperidinamine,N-butyl-2,2,6,6-tetramethyl- Specification

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