ChemicalBook--->CAS DataBase List--->405103-02-8

405103-02-8

405103-02-8 Structure

405103-02-8 Structure
IdentificationBack Directory
[Name]

3-PYRIDINAMINE, 6-(1-METHYLETHYL)-
[CAS]

405103-02-8
[Synonyms]

6-lsopropylpyridin-3-aMine
6-Isopropylpyridin-3-amine
5-AMino-2-isopropylpyridine
3-Amino-6-isopropylpyridine
6-Isopropyl-pyridin-3-ylamine
6-(propan-2-yl)pyridin-3-aMine
5-Amino-2-isopropylpyridine 95%
6-(1-Methylethyl)-3-Pyridinamine
3-PYRIDINAMINE, 6-(1-METHYLETHYL)-
3-Pyridinamine,6-(1-methylethyl)-(9CI)
6-isopropylpyridin-3-amine hydrochloride
3-PYRIDINAMINE, 6-(1-METHYLETHYL)- ISO 9001:2015 REACH
[Molecular Formula]

C8H12N2
[MDL Number]

MFCD08460245
[MOL File]

405103-02-8.mol
[Molecular Weight]

136.19
Chemical PropertiesBack Directory
[Boiling point ]

255.1±20.0 °C(Predicted)
[density ]

1.008±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

6.77±0.10(Predicted)
[Appearance]

Light yellow to brown Liquid
[InChI]

InChI=1S/C8H12N2/c1-6(2)8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3
[InChIKey]

XYGFISRAXLLACA-UHFFFAOYSA-N
[SMILES]

C1=NC(C(C)C)=CC=C1N
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

6-Isopropylpyridin-3-amine is used to prepare quinolinonecarboxamides as modulators of ATP-binding cassette transporters.
[Synthesis]

Pyridine, 2-(1-methylethyl)-5-nitro- (9CI)

131941-21-4

3-PYRIDINAMINE, 6-(1-METHYLETHYL)-

405103-02-8

General procedure for the synthesis of 3-amino-6-isopropylpyridine from 2-isopropyl-5-nitropyridine: 2-isopropyl-5-nitropyridine (1.30 g, 7.82 mmol) was dissolved in methanol (20 mL) and Raney Ni catalyst (0.25 g) was added. The reaction mixture was stirred for 2 hours at room temperature under hydrogen (1 atm) atmosphere. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to afford 2-isopropyl-5-aminopyridine (E-9) (0.55 g, 52% yield). The product was characterized by 1H NMR (CDCl3): δ 8.05 (s, 1H), 6.93-6.99 (m, 2H), 3.47 (br s, 2H), 2.92-3.02 (m, 1H), 1.24-1.26 (m, 6H).ESI-MS showed the molecular ion peak at 137.2 m/z (MH+).

[References]

[1] Patent: US2011/98311, 2011, A1
[2] Patent: US2012/309758, 2012, A1
[3] Patent: US2015/231142, 2015, A1. Location in patent: Paragraph 0700
Spectrum DetailBack Directory
[Spectrum Detail]

3-PYRIDINAMINE, 6-(1-METHYLETHYL)-(405103-02-8)1HNMR
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