Account tert-Butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
- Catalog No. :
- ACFIBP112
- CAS No. :
- 1065114-25-1
- Molecular Formula :
- C13H19N3O3S
- Molecular Weight :
- 297.38
IUPAC Name:tert-butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
![tert-Butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | tert-Butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate |
|---|---|
| IUPAC Name | tert-butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate |
| MDL No. | MFCD30179611 |
| Molecular Formula | C13H19N3O3S |
| Molecular Weight | 297.38 |
| SMILES | O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C |
| InChI Key | UPQJYGSFYMGCMV-UHFFFAOYSA-N |
| Synonym | tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate;tert-butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate;7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 1,2,3,4,5,6,8,9-octahydro-4-oxo-2-thioxo-, 1,1-dimethylethyl ester |
| CAS No. | 1065114-25-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACFIBP112 Molecular Building Block Synthetic Route
Benzyl 4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate
tert-Butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate
tert-Butyl 4-oxo-2-phenyl-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate