ChemicalBook--->CAS DataBase List--->1186647-69-7

1186647-69-7

1186647-69-7 Structure

1186647-69-7 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
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
Spectrum DetailBack Directory
[Spectrum Detail]

4-chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine(1186647-69-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

HDH-PHARMA 26173

871836-51-0

4-chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine

1186647-69-7

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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