ChemicalBook--->CAS DataBase List--->33050-38-3

33050-38-3

33050-38-3 Structure

33050-38-3 Structure
IdentificationBack Directory
[Name]

3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine
[CAS]

33050-38-3
[Synonyms]

3,6-Dichloro-s-triazolo[4,3-b]pyridazine
[Molecular Formula]

C5H2Cl2N4
[MDL Number]

MFCD00139673
[MOL File]

33050-38-3.mol
[Molecular Weight]

189
Chemical PropertiesBack Directory
[Melting point ]

140-143°C
[density ]

1.90
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

-2.88±0.30(Predicted)
[color ]

Yellow-brown
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine(33050-38-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

6-CHLORO[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3(2H)-ONE

33050-32-7

3,6-Dichloro[1,2,4]triazolo[4,3-b]pyridazine

33050-38-3

The general procedure for the synthesis of 3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine using 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one as starting material is as follows: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one (1 eq.) was added to phosphorochloridic acid (10 eq.). The reaction mixture was heated to reflux and maintained for 20 hours. After completion of the reaction, the mixture was evaporated to dryness. The residue was dissolved in ethyl acetate and washed with saturated aqueous potassium carbonate. The organic layer was dried over anhydrous sodium sulfate, filtered and evaporated to dryness to give Intermediate D in 93% yield. The product was a pale yellow solid.1H NMR (MeOD-d4) data were as follows: δ 7.51 (dd, 1H, J = 9.6Hz, 0.9Hz); δ 8.30 (dd, 1H, J = 9.6Hz, 0.9Hz).

[References]

[1] Patent: WO2013/45519, 2013, A1. Location in patent: Page/Page column 43
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