| Identification | Back Directory | [Name]
4-chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine | [CAS]
1186647-69-7 | [Synonyms]
4-chloro-3-iodo-1H-pyrazolo[4
4-chloro-3-iodo-1h-pyrazole[4,3-c]pyridine
4-chloro-3-iodo-2H-pyrazolo[4,3-c]pyridine
4-chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine
1H-Pyrazolo[4,3-c]pyridine, 4-chloro-3-iodo- | [Molecular Formula]
C6H3ClIN3 | [MDL Number]
MFCD16877655 | [MOL File]
1186647-69-7.mol | [Molecular Weight]
279.47 |
| Chemical Properties | Back Directory | [Boiling point ]
435.2±40.0 °C(Predicted) | [density ]
2.284 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
solid | [pka]
8.51±0.40(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C6H3ClIN3/c7-5-4-3(1-2-9-5)10-11-6(4)8/h1-2H,(H,10,11) | [InChIKey]
PBVPGWHQJRFJQU-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=CC2NN=C(I)C1=2 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301-H319 | [Precautionary statements ]
P301+P310-P305+P351+P338 | [Risk Statements ]
36 | [Safety Statements ]
26 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Synthesis]
4-Chloro-1H-pyrazolo[4,3-c]pyridine (1.5 g, 9.77 mmol, 1.00 eq.) was used as a starting material and dissolved in 1,4-dioxane (25 mL). Subsequently, potassium hydroxide (2.0 g, 35.65 mmol, 3.60 eq.) was added and the reaction mixture was stirred at 75 °C. At this temperature, iodine (4.95 g, 19.50 mmol, 2.00 eq.) was slowly added and the reaction lasted for 4 hours. Upon completion of the reaction, the reaction was quenched with saturated sodium thiosulfate pentahydrate aqueous solution and the resulting solid was collected by filtration. 4-Chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine (2.5 g, 92% yield) was finally obtained as a light yellow solid. The product was analyzed by LC-MS (ES, m/z) and showed a molecular ion peak of 280 [M + H]. | [References]
[1] Patent: WO2015/25025, 2015, A1. Location in patent: Page/Page column 171; 328; 333
[2] Patent: WO2016/210165, 2016, A1. Location in patent: Page/Page column 67
[3] Patent: WO2017/215600, 2017, A1. Location in patent: Page/Page column 32-33
[4] Patent: EP2252293, 2018, B1. Location in patent: Paragraph 0257; 0259
[5] Patent: WO2012/38743, 2012, A1. Location in patent: Page/Page column 82 |
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