Account 3-{9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl}benzoic acid
- Catalog No. :
- ACISTX062
- CAS No. :
- 899213-29-7
- Molecular Formula :
- C18H16N2O4
- Molecular Weight :
- 324.34
IUPAC Name:3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-3(4H)-yl)benzoic acid
![3-{9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl}benzoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-{9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl}benzoic acid |
|---|---|
| IUPAC Name | 3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-3(4H)-yl)benzoic acid |
| MDL No. | MFCD06743097 |
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.34 |
| SMILES | O=C(O)C1=CC=CC(N2C3(C)OC4=CC=CC=C4C(C3)NC2=O)=C1 |
| InChI Key | VCKXLTWFHBRJCE-UHFFFAOYSA-N |
| Synonym | 3-(9-Methyl-11-oxo-8-oxa-10,12-diaza-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-10-yl)-benzoic acid;Benzoic acid, 3-(5,6-dihydro-2-methyl-4-oxo-2,6-methano-2H-1,3,5-benzoxadiazocin-3(4H)-yl)- |
| CAS No. | 899213-29-7 |
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. ACISTX062 Molecular Building Block Synthetic Route
3-[(1R,9R)-9-Methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl]benzoic acid
3-{6-methoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-yl}benzoic acid
3-(4-Isopropylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one