1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-

Base Information

Chemical Name:1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-
CAS No.:619331-12-3
Molecular Formula:C₂₂H₁₈FN₇O₃
Molecular Weight:447.428
Hs Code.:
UNII:CIO2TZZ9H1
Nikkaji Number:J3.211.036C
Wikidata:Q27275484
ChEMBL ID:CHEMBL236995

Synonyms:1-(4-benzoyl-piperazin-1-yl)-2-(4-fluoro-7-(1,2,3)triazol-1-yl-1H-pyrrolo(2,3-c)pyridin-3-yl)-ethane-1,2-dione;BMS-585248

Suppliers and Price of 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:447.14551562
Heavy Atom Count:33
Complexity:756

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4N5C=CN=N5)F

Technology Process of 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-

There total 8 articles about 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1H-1,2,3-triazol-1-yl)-1H-pyrrolo(2,3-C)pyridin-3-yl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

: C₁₂H₈FN₅O₃

: 56227-55-5,79332-89-1
N-benzoylpiperazine hydrochloride

: 619331-12-3
1-(4-benzoyl-piperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione

Guidance literature:: With sodium t-butanolate; In tetrahydrofuran; N,N-dimethyl-formamide; at -5 - 20 ℃; for 1h;

Reference yield: 5.4%

: 701213-94-7
1-(4-benzoylpiperazin-1-yl)-2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

: 288-36-8,288-35-7
1 ,2,3-Triazole

: 619331-12-3
1-(4-benzoyl-piperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione

: 619331-13-4
C₂₂H₁₈FN₇O₃

Guidance literature:: With copper; potassium carbonate; at 140 ℃; for 6h; Inert atmosphere; Sealed tube;
DOI:10.1021/jm3016377

Reference yield:

: 6628-77-9
6-methoxy-pyridin-3-ylamine

: 619331-12-3
1-(4-benzoyl-piperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione

: 619331-13-4
C₂₂H₁₈FN₇O₃

Guidance literature:: Multi-step reaction with 7 steps

1.1: tetrafluoroboric acid; sodium nitrite / ethanol; water / 3 h / 0 °C / Inert atmosphere

1.2: 4 h / 100 °C / Inert atmosphere

2.1: hydrogenchloride / toluene / 2 h / Inert atmosphere; Sealed tube; Heating

3.1: sulfuric acid; nitric acid / 1 h / 20 - 80 °C / Inert atmosphere

4.1: tetrahydrofuran / 2.25 h / Inert atmosphere; Cooling

5.1: aluminum (III) chloride; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride / 8 h / 20 °C / Inert atmosphere

5.2: Inert atmosphere; Cooling with ice

6.1: N-ethyl-N,N-diisopropylamine; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

7.1: potassium carbonate; copper / 6 h / 140 °C / Inert atmosphere; Sealed tube

With hydrogenchloride; aluminum (III) chloride; tetrafluoroboric acid; sulfuric acid; nitric acid; copper; potassium carbonate; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride; N-ethyl-N,N-diisopropylamine; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one; sodium nitrite; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide; toluene; 4.1: |Bartoli Indole Synthesis;
DOI:10.1021/jm3016377