ChemicalBook CAS DataBase List 36768-62-4

36768-62-4

Name	Triacetonediamine
CAS	36768-62-4
EINECS(EC#)	253-197-2
Molecular Formula	C9H20N2O3
MDL Number	MFCD00005984
Molecular Weight	204.27
MOL File	36768-62-4.mol

Synonyms

2,2,6,6-TETRAMETHYL-4-AMINOPIPERIDINE 2,2,6,6-TETRAMETHYL-4-PIPERIDYLAMINE 2,2,6,6-TETRAMETHYL-PIPERIDIN-4-YLAMINE 4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE TAD TEMP TIMTEC-BB SBB001789 TRIACETONEDIAMINE 2,2,6,6-tetramethyl-4-piperidinamin 2,2,6,6-Tetramethyl-4-piperidinamine 4-amino-2,2,6,6-tetramethyl-piperidin Piperidine, 4-amino-2,2,6,6-tetramethyl- 4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE, 9 8% Amino-2,2,6,6-tetramethylpiperidine 4-Amion-2,2,6,6-Tetramentylniperidine 4-Amino-2,2,6,6-tetramethylpiperidine, pure, 98% 4-Amino-2,2,6,6-tetra-methyl 4-Piperidinamine, 2,2,6,6-tetramethyl- 4-amino-2,2,6,6-tetramethylpiperidine (TAD 2,2,6,6-Tetramethyl-4-piperidylamin

Chemical Properties

Appearance	CLEAR SLIGHTLY YELLOW LIQUID
Melting point	16-18 °C(lit.)
Boiling point	188-189 °C(lit.)
density	0.912 g/mL at 25 °C(lit.)
vapor pressure	<=20 hPa (20 °C)
refractive index	n20/D 1.470(lit.)
Fp	162 °F
storage temp.	Store below +30°C.
form	clear liquid
pka	10.83±0.10(Predicted)
color	Colorless to Light orange to Yellow
Specific Gravity	0.912
PH	12.3 (99g/l, H2O, 20℃)
Water Solubility	soluble
Detection Methods	GC,T
BRN	105038
InChI	1S/C9H20N2/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6,10H2,1-4H3
InChIKey	FTVFPPFZRRKJIH-UHFFFAOYSA-N
SMILES	CC1(C)CC(N)CC(C)(C)N1
LogP	0.94 at 20℃
Surface tension	67.11-68.09mN/m at 1g/L and 20℃
CAS DataBase Reference	36768-62-4(CAS DataBase Reference)
NIST Chemistry Reference	4-Piperidinamine, 2,2,6,6-tetramethyl-(36768-62-4)
Storage Precautions	Heat sensitive;Store under nitrogen
EPA Substance Registry System	36768-62-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS07
Signal word	Danger
Hazard statements	H290-H302-H314-H412
Precautionary statements	P234-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Hazard Codes	Xn,Xi,C
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R34:Causes burns. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	UN 2735 8/PG 3
WGK Germany	2
RTECS	TM4290100
Autoignition Temperature	300 °C
Hazard Note	Irritant
TSCA	Yes
REACH Registrations	Active
HazardClass	8
PackingGroup	III
HS Code	29333999
Storage Class	8A - Combustible corrosive hazardous materials
Hazard Classifications	Acute Tox. 4 Oral Aquatic Chronic 3 Met. Corr. 1 Skin Corr. 1C
Toxicity	LD50 orally in Rabbit: 1000 mg/kg less more

Hazard Information

Chemical Properties

CLEAR SLIGHTLY YELLOW LIQUID

Uses

Triacetonediamine have been investigated as new anticancer drugs with high activity and low toxicity.

Preparation

Triacetonediamine is formed by the poly-aldol condensation of acetone in the presence of ammonia and calcium chloride: 3 (CH3)2CO + NH3 → OC(CH2CMe2)2NH + 2 H2O

Reactions

Triacetonediamine is an intermediate in the preparation of 2,2,6,6-tetramethylpiperidine, a sterically hindered base and precursor to the reagent called TEMPO. Reductive amination of triacetonamine gives 4-amino-2,2,6,6-tetramethylpiperidine.

Safety Profile

Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx.

Synthesis

826-36-8

36768-62-4

The general procedure for the synthesis of 2,2,6,6-tetramethylpiperidinamine from 2,2,6,6-tetramethylpiperidin-4-one is as follows: Examples 1-12: 300 g of 2,2,6,6-tetramethylpiperidin-4-one, deionized water and 11 g of catalyst (sequentially using B113W nickel-based catalyst and B2112Z cobalt-based catalyst from Evonik Degussa GmbH) were added to a 1-liter stirred autoclave under argon protection. The autoclave was equipped with a paddle stirrer, an electric heating system, an air cooling unit and a hydrogen mass flow regulator. The autoclave was then flushed three times with nitrogen. The stirrer speed was set to 300 rpm and then 83 g of liquid ammonia was slowly added. The system was adjusted to the pressure and temperature conditions required for the main reaction under hydrogen atmosphere. The reaction was carried out at 150 °C and 50 bar pressure for about 3 hours. Deviations from other reaction conditions are recorded in Table 1, which shows both the process parameters and the results for each embodiment.

References

[1] Anales de Quimica, 1998, vol. 94, # 1, p. 36 - 45
[2] Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 1, p. 182 - 191
[3] Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 1, p. 182 - 191
[4] Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 1, p. 182 - 191
[5] Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 1, p. 182 - 191

Material Safety Data Sheet(MSDS)

Spectrum Detail

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