Account 6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one
- Catalog No. :
- ACMVBQ454
- CAS No. :
- 205754-32-1
- Molecular Formula :
- C14H9ClF3NO3
- Molecular Weight :
- 331.68
IUPAC Name:6-chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
![6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one |
|---|---|
| IUPAC Name | 6-chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one |
| Molecular Formula | C14H9ClF3NO3 |
| Molecular Weight | 331.68 |
| SMILES | O=C1NC2=C(O)C=C(Cl)C=C2C(C(F)(F)F)(C#CC3CC3)O1 |
| InChI Key | OOVOMPCQLMFEDT-UHFFFAOYSA-N |
| Synonym | 6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one;Efavirenz Impurity 12(rac 8-Hydroxy Efavirenz);2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-;Evelviren impurity 2(RAC 8-hydroxy-efeviren);6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-one;6-chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one |
| CAS No. | 205754-32-1 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H302-H360-H410
- Precautionary Statement(s)
- P202-P264-P270-P273-P301+P312-P308+P313
Synthetic Route by SureRoute
2. ACMVBQ454 Molecular Building Block Synthetic Route
(S)-6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
tert-Butyl (4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)carbamate
4-Chlorobutyl (4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenyl)carbamate