Account Ethyl 10-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate
- Catalog No. :
- ACASOG727
- CAS No. :
- 321385-52-8
- Molecular Formula :
- C20H18ClF3N4O5
- Molecular Weight :
- 486.83
IUPAC Name:ethyl 6-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-5,7-dioxo-3a,4a,5,6,7,7a,8,8a-octahydro-4H-4,8-methanoisoxazolo[4,5-f]isoindole-3-carboxylate
amino}-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Ethyl 10-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate |
|---|---|
| IUPAC Name | ethyl 6-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-5,7-dioxo-3a,4a,5,6,7,7a,8,8a-octahydro-4H-4,8-methanoisoxazolo[4,5-f]isoindole-3-carboxylate |
| Molecular Formula | C20H18ClF3N4O5 |
| Molecular Weight | 486.83 |
| SMILES | O=C(C1=NOC2C3C4C(C(N(N(C5=NC=C(C(F)(F)F)C=C5Cl)C)C4=O)=O)C(C3)C12)OCC |
| InChI Key | BEFSELWFUMNQME-UHFFFAOYSA-N |
| Synonym | ETHYL 10-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLATE;ethyl 10-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate;4,8-Methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylic acid, 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo-, ethyl ester |
| CAS No. | 321385-52-8 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACASOG727 Molecular Building Block Synthetic Route
Ethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate
4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]decane-8-carbonitrile