ChemicalBook--->CAS DataBase List--->1001756-21-3

1001756-21-3

1001756-21-3 Structure

1001756-21-3 Structure
IdentificationBack Directory
[Name]

4-amino-6-chloronicotinaldehyde
[CAS]

1001756-21-3
[Synonyms]

4-amino-6-chloronicotinaldehyde
4-amino-6-chloronicotinaldehydr
3-Pyridinecarboxaldehyde, 4-amino-6-chloro-
[Molecular Formula]

C6H5ClN2O
[MDL Number]

MFCD09834660
[MOL File]

1001756-21-3.mol
[Molecular Weight]

156.57
Chemical PropertiesBack Directory
[Boiling point ]

379.0±42.0 °C(Predicted)
[density ]

1.442±0.06 g/cm3(Predicted)
[storage temp. ]

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

2.58±0.42(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C6H5ClN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-3H,(H2,8,9)
[InChIKey]

CGMIFAMRODWNJB-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=CC(N)=C1C=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H332-H302-H315-H312-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Spectrum DetailBack Directory
[Spectrum Detail]

4-amino-6-chloronicotinaldehyde(1001756-21-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

(4-aMino-6-chloropyridin-3-yl)Methanol

846036-96-2

4-amino-6-chloronicotinaldehyde

1001756-21-3

General procedure for the synthesis of 4-amino-6-chloro-3-pyridinecarboxaldehyde from (4-amino-6-chloropyridin-3-yl)methanol: Compound 4 ((4-amino-6-chloropyridin-3-yl)methanol, 600 mg, 3.77 mmol) was dissolved in tetrahydrofuran (THF, 50 mL). Manganese dioxide (MnO2, 3.32 g, 37.7 mmol) was added all at once to this solution. The reaction mixture was stirred at room temperature for 5 h. The progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the solid manganese dioxide was removed by filtration. The filtrate was concentrated to give compound 5 (4-amino-6-chloro-3-pyridinecarboxaldehyde, 3.7 g, yield: 86.5%) as a white solid.

[References]

[1] Patent: WO2014/52365, 2014, A1. Location in patent: Page/Page column 180-181
[2] Patent: US2012/184562, 2012, A1. Location in patent: Page/Page column 21
[3] Patent: WO2013/134298, 2013, A1. Location in patent: Page/Page column 40
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 10, p. 4165 - 4179
[5] Patent: WO2015/120049, 2015, A1. Location in patent: Page/Page column 218
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