Account (3S,4R)-3-Hydroxy-2,2-dimethyl-4-((3-oxocyclopent-1-en-1-yl)oxy)chromane-6-carbonitrile
- Catalog No. :
- ACYAWS630
- CAS No. :
- 121055-10-5
- Molecular Formula :
- C17H17NO4
- Molecular Weight :
- 299.33
IUPAC Name:(3S,4R)-3-hydroxy-2,2-dimethyl-4-((3-oxocyclopent-1-en-1-yl)oxy)chromane-6-carbonitrile
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Product Information
| Product Name | (3S,4R)-3-Hydroxy-2,2-dimethyl-4-((3-oxocyclopent-1-en-1-yl)oxy)chromane-6-carbonitrile |
|---|---|
| IUPAC Name | (3S,4R)-3-hydroxy-2,2-dimethyl-4-((3-oxocyclopent-1-en-1-yl)oxy)chromane-6-carbonitrile |
| MDL No. | MFCD00879250 |
| Molecular Formula | C17H17NO4 |
| Molecular Weight | 299.33 |
| SMILES | N#CC1=CC=C2C([C@@H](OC3=CC(CC3)=O)[C@H](O)C(C)(C)O2)=C1 |
| InChI Key | WJBHHTPFTVKZCV-CVEARBPZSA-N |
| Synonym | [-]-(3S,4R)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-4-(3-OXO-CYCLOPENT-1-ENYL-2-OXY)-2H-1-BENZYPYRAN-6-CARBONITRILE;PCO 400;PCO-400 95+%;2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-( (3-oxo-1-cyclopenten-1-yl)oxy)- (3S-trans)-;SDZ PCO 400;(-)-(3S,4R)-3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-(3-oxocyclopent-1-enyl-1-oxy)-2H-1-benzpyran-6-carbonitrile;(-)-(3S,4R)-3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-(3-oxy-1-cyclopentenyl-2-oxy)-2H-1-benzylpyran-6-carbonitrile;2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-, (3S,4R)- |
| CAS No. | 121055-10-5 |
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. ACYAWS630 Molecular Building Block Synthetic Route
(1AR,7bR)-2,2-dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile
(1AS,7bS)-2,2-dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile
![1-((1aR,7bR)-2,2-Dimethyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromen-6-yl)ethanone structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/ndaa/171596-62-6.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T111558Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22171596-62-6.png%22&x-id=GetObject&X-Amz-Signature=4e5dea412aa0a7b4504bde4f7ad2060192a3b81d90da417129bb158b7ee46a61)
1-((1aR,7bR)-2,2-Dimethyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromen-6-yl)ethanone