ChemicalBook > CAS DataBase List > 3-Iodo-7-aza-1H-azaindazole
3-Iodo-7-aza-1H-azaindazole
- Product Name
- 3-Iodo-7-aza-1H-azaindazole
- CAS No.
- 117007-52-0
- Chemical Name
- 3-Iodo-7-aza-1H-azaindazole
- Synonyms
- 3-Iodo-;Vericiguat Impurity 23;3-Iodo-7-aza-1H-indazole;3-Iodo-7-aza-1H-azaindazole;3-Iodo-1H-pyrazolo[3,4-b]...;3-Iodopyrazolo[3,4-b]pyridine;3-iodo-1H-pyrazolo[3,4-b]pyridine;3-iodo-2H-pyrazolo[3,4-b]pyridine;1H-Pyrazolo[3,4-b]pyridine, 3-iodo-
- CBNumber
- CB01235193
- Molecular Formula
- C6H4IN3
- Formula Weight
- 245.02
- MOL File
- 117007-52-0.mol
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3-Iodo-7-aza-1H-azaindazole Property
- Melting point:
- 177-179°C
- Boiling point:
- 379.8±22.0 °C(Predicted)
- Density
- 2.219±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Chloroform, DMSO
- form
- Solid
- pka
- 7.96±0.40(Predicted)
- color
- Pale Yellow
- InChI
- InChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
- InChIKey
- TYXAGVKIICJXGF-UHFFFAOYSA-N
- SMILES
- C12NN=C(I)C1=CC=CN=2
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
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N-Bromosuccinimide Price
TRC
- Product number
- I719480
- Product name
- 3-Iodo-1H-pyrazolo[3,4-b]pyridine
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 070505
- Product name
- 3-Iodo-1H-pyrazolo[3,4-b]pyridine
- Purity
- 96%
- Packaging
- 1g
- Price
- $49
- Updated
- 2021/12/16
SynQuest Laboratories
- Product number
- 3H32-H-01
- Product name
- 3-Iodo-1H-pyrazolo[3,4-b]pyridine
- Purity
- 98%
- Packaging
- 1g
- Price
- $125
- Updated
- 2021/12/16
ChemSupplyAustralia
- Product number
- 300804
- Product name
- 3-Iodo-1H-pyrazolo[3,4-b]pyridine, 97%
- Packaging
- 250mg
- Price
- $82.5
- Updated
- 2021/12/16
Apolloscientific
- Product number
- OR305393
- Product name
- 3-Iodo-1H-pyrazolo[3,4-b]pyridine
- Packaging
- 1g
- Price
- $88
- Updated
- 2021/12/16
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3-Iodo-7-aza-1H-azaindazole Chemical Properties,Usage,Production
Chemical Properties
Pale Yellow Solid
Uses
3-Iodo-7-aza-1H-azaindazole is used for preparation of azaindazole compounds as CCR1 antagonists.
Synthesis
271-73-8
117007-52-0
General procedure for the synthesis of 3-iodo-1H-pyrazolo[3,4-b]pyridine from 1H-pyrazolo[3,4-b]pyridine: 1H-pyrazolo[3,4-b]pyridine (0.50 g, 4.2 mmol), iodine (2.1 g, 8.3 mmol), 3M aqueous NaOH (20 mL) and 1,4-dioxane (20 mL) were added to a reaction flask . The reaction mixture was heated to 55 °C and stirred overnight. Upon completion of the reaction, the organic solvent was evaporated under reduced pressure. Subsequently, acetic acid was added dropwise to the residue and the pH of the solution was adjusted to 5. A yellow solid was precipitated. The precipitate was collected by filtration and dried in air to afford the target product 3-iodo-1H-pyrazolo[3,4-b]pyridine (0.93 g, 90% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3) δ 13.80 (br s, 1H), 8.66 (d, J=4.8 Hz, 1H), 7.88 (d, J=7.2 Hz, 1H), 7.26 (dd, J=7.2, 4.8 Hz, 1H) and MS (ESI) m/z: 246 (M+H)+.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 5, p. 1243 - 1245
[2] Patent: WO2006/130673, 2006, A1. Location in patent: Page/Page column 86
[3] European Journal of Medicinal Chemistry, 2013, vol. 68, p. 361 - 371
[4] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 13, p. 4763 - 4772
[5] Patent: WO2016/97918, 2016, A1. Location in patent: Page/Page column 51-52
3-Iodo-7-aza-1H-azaindazole Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Iodo-7-aza-1H-azaindazole manufacturers
Career Henan Chemical Co
- Product
- 3-Iodo-7-aza-1H-azaindazole 117007-52-0
- Price
- US $6.60/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2019-12-25
117007-52-0, 3-Iodo-7-aza-1H-azaindazoleRelated Search:
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