5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
![5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene Structure](CAS/GIF/29274-28-0.gif)
- CAS No.
- 29274-28-0
- Chemical Name:
- 5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
- Synonyms
- 4-Chloro-1H-pyrazolo[3,4-b]pyridine;Nsc213281;7-tetraene;4-CHLORO-7-AZA-1H-INDAZOLE;9-triazabicyclo[4.3.0]nona-1;4-Chloro-1H-pyrazolo[3,4-...;1H-Pyrazolo[3,4-B]pyridine, 4-chloro-;4-Chloro-1H-pyrazolo[3,4-b]pyridine,98%;3-Chloro-5-hydrazono-penta-1,3-dienylamine;4-CHLORO-1H-PYRAZOLO[3,4-B]PYRIDINE(WXC07940)
- CBNumber:
- CB61508578
- Molecular Formula:
- C6H4ClN3
- Molecular Weight:
- 153.57
- MOL File:
- 29274-28-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/5/5 15:13:38
| Boiling point | 194.5±50.0 °C(Predicted) |
|---|---|
| Density | 1.61±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| pka | 4.56±0.20(Predicted) |
| form | Solid |
| InChI | InChI=1S/C6H4ClN3/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H,(H,8,9,10) |
| InChIKey | AKWQSKVILVJWPC-UHFFFAOYSA-N |
| SMILES | C12NN=CC1=C(Cl)C=CN=2 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| HS Code | 2933399990 | |||||||||
| NFPA 704 |
|
5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene Chemical Properties,Uses,Production
Uses
Used as an intermediate in organic synthesis.
Synthesis
4-chloro-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine (1.506 g, 5.502 mmol) was dissolved in neat TFA (8.478 ml, 110.0 mmol) and the reaction mixture was stirred at 75°C for 2 hours. The reaction mixture was concentrated to a dark yellow oil and MeOH was added to give a thick white precipitate that was filtered and washed with MeOH. The filtrate, which contained the desired product, was concentrated to a yellow oil that was dried in vacuo overnight to yield a yellow waxy solid. The crude solid was partitioned between EtOAc and saturated NaHCO3. The phases were separated, and the aqueous layer was re-extracted with EtOAc (1x). The combined organic phases were dried over Na2SO4, filtered and concentrated to yield the desired product 5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene(0.845 g, 100%) as a yellow solid. LRMS (APCI pos) m/e 154, 156 (M+, Cl pattern).![5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene synthesis](/NewsImg/2023-05-05/6381889646350103014479092.jpg "5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene synthesis")
5-chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Shanghai Qianyi New Material Co., Ltd. | +8618083322317 | China | 878 | 58 | Inquiry |
| Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | China | 29798 | 60 | Inquiry |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | China | 16220 | 58 | Inquiry |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | China | 32760 | 60 | Inquiry |
| career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29901 | 58 | Inquiry |
| Shenzhen Nexconn Pharmatechs Ltd | +86-755-89396905 +86-15013857715 | China | 10259 | 58 | Inquiry |
| Jinan Carbotang Biotech Co.,Ltd. | +8615866703830 | China | 7287 | 58 | Inquiry |
| Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 | China | 39916 | 58 | Inquiry |
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