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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Safety

Risk Statements: 36/37/38
Safety Statements: 26-37/39
RIDADR: UN2811
HS Code: 2933399990

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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

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

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

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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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3-Iodo-7-aza-1H-azaindazole Suppliers

Canada 1 China 127 Germany 1 India 2 United Kingdom 1 United States 11 Global 143

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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:

Bromothymol Blue CPNQ 1H-PYRAZOLO[3,4-B]PYRIDINE 3-IODO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE 5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine 3-Iodo-7-aza-1H-azaindazole

3-Iodo-7-aza-1H-azaindazole

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Vericiguat Impurity 23

117007-52-0

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