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1060811-62-2

1060811-62-2 Structure

1060811-62-2 Structure
IdentificationBack Directory
[Name]

4,6-dichloronicotinaldehyde
[CAS]

1060811-62-2
[Synonyms]

4,6-dichloronicotinaldehyde
4,6-Dichloropyridine-3-carbaldehyde
4,6-Dichloronicotinaldehyde(WXC01807)
4,6-Dichloropyridine-3-carboxaldehyde
3-Pyridinecarboxaldehyde, 4,6-dichloro-
4,6-dichloronicotinaldehyde ISO 9001:2015 REACH
[Molecular Formula]

C6H3Cl2NO
[MDL Number]

MFCD12025485
[MOL File]

1060811-62-2.mol
[Molecular Weight]

176
Chemical PropertiesBack Directory
[Boiling point ]

268.2±35.0 °C(Predicted)
[density ]

1.488±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[pka]

-1.17±0.10(Predicted)
[Appearance]

White to light green Solid
[InChI]

InChI=1S/C6H3Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-3H
[InChIKey]

AKYJFAHYRMPRDS-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P260-P280-P312
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

4,6-dichloronicotinaldehyde(1060811-62-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

4,6-DICHLORO-3-PYRIDINEMETHANOL

73998-95-5

4,6-dichloronicotinaldehyde

1060811-62-2

Part II- Synthesis of 4,6-dichloropyridine-3-carbaldehyde: (4,6-dichloropyridin-3-yl)methanol (4.9 g, 28 mmol) was dissolved in trichloromethane (100 mL). Subsequently, manganese dioxide (24 g, 280 mmol) was added and the reaction mixture was stirred at 75 °C for 12 hours. Upon completion of the reaction, the mixture was cooled to room temperature, filtered through a pad of diatomaceous earth and the filtrate was concentrated under reduced pressure to give 4,6-dichloropyridine-3-carbaldehyde. The mass of the product was 2.9 g in 90% yield. Liquid chromatography-mass spectrometry (electrospray ionization) analysis: calculated value C6H3Cl2NO = 175; measured value [M + H]+ signal is weak.

[References]

[1] Patent: WO2013/169704, 2013, A2. Location in patent: Paragraph 0231
[2] Patent: CN106810558, 2017, A. Location in patent: Paragraph 0158; 0162; 0163
[3] Patent: CN106810559, 2017, A. Location in patent: Paragraph 0162; 0167; 0170; 0171
[4] Patent: WO2016/128529, 2016, A1. Location in patent: Paragraph 01364; 01367; 01368
[5] Patent: WO2018/15410, 2018, A1. Location in patent: Paragraph 0284; 0288-0290
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