ChemicalBook--->CAS DataBase List--->1180132-17-5

1180132-17-5

1180132-17-5 Structure

1180132-17-5 Structure
IdentificationBack Directory
[Name]

5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine
[CAS]

1180132-17-5
[Synonyms]

Abemaciclib Impurity 4
LY2835219 Intermediate 1
-((4-Ethylpiperazin-1-yl)Methyl)pyridin-2-aMine
5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-amin
5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine
5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinamine
2-Amino-5-[(4-ethyl-1-piperazinyl)methyl]pyridine
2-PyridinaMine, 5-[(4-ethyl-1-piperazinyl)Methyl]-
[5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-yl]amine
5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine ISO 9001:2015 REACH
[EINECS(EC#)]

806-688-6
[Molecular Formula]

C12H20N4
[MDL Number]

MFCD14706690
[MOL File]

1180132-17-5.mol
[Molecular Weight]

220.314
Questions And AnswerBack Directory
[Physical Form]

Solid
Chemical PropertiesBack Directory
[Boiling point ]

362℃
[density ]

1.101
[Fp ]

173℃
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[pka]

7.71±0.10(Predicted)
[Appearance]

White to yellow Solid
[InChI]

InChI=1S/C12H20N4/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3,(H2,13,14)
[InChIKey]

MNJBMPQTXVZMFZ-UHFFFAOYSA-N
[SMILES]

C1(N)=NC=C(CN2CCN(CC)CC2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H318-H302
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine is a useful research chemical.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Triethylamine

121-44-8

3-Pyridinemethanamine,6-amino-(9CI)

156973-09-0

5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine

1180132-17-5

To a 500 mL four-necked round-bottomed flask equipped with a thermometer and condenser tube were added 100 g of 1,2-dichloroethane, 12.5 g (0.1 mol) of 5-(aminomethyl)pyridin-2-amine (IV) and 30.0 g of potassium carbonate. A solution consisting of 25.0 g (0.15 mol) N,N-diethylethylamine and 20 g of 1,2-dichloroethane was added slowly and dropwise over a period of about 2 hours at 30 to 35 °C. The reaction temperature was maintained at 30~35°C and stirring was continued for 6 hours. After completion of the reaction, it was cooled to 20~25°C and layered. The aqueous layer was extracted twice with 1,2-dichloroethane at 20 g. The organic phases were combined and the 1,2-dichloroethane was removed by distillation. To the residue was added 75 g of methyl tert-butyl ether and 0.5 g of activated charcoal and stirred at 80~82°C for 1 hr. After hot filtration, the filtrate was cooled to 0~5°C for crystallization, filtered and dried to afford 18.2 g of 5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-amine as a white solid in 82.7% yield and 99.3% purity of the liquid phase.

[References]

[1] Patent: CN107337634, 2017, A. Location in patent: Paragraph 0040; 0053; 0054; 0057; 0058; 0061; 0062
Spectrum DetailBack Directory
[Spectrum Detail]

5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-amine(1180132-17-5)1HNMR
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