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CAS RN: 125971-95-1 | Product Number: B3690
tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
![Thumbnail of tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate](/medias/B3690.jpg?context=bWFzdGVyfHJvb3R8MTk1NTh8aW1hZ2UvanBlZ3xhR1ZsTDJnek1TODRPVE16TmpFeU9URXlOamN3TDBJek5qa3dMbXB3Wnd8ZGE1ODQwMmIzNDgzOWRmZDk2MjQ2YjViZGVhYjhiZTJmYTExNmFjYTQyYjkxZTc5OWQzZTYyYmEyOGQ1YzA5Yw "tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate")
![Chemical Structure of tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate](/medias/B3690.jpg?context=bWFzdGVyfHJvb3R8Njk0ODV8aW1hZ2UvanBlZ3xhR1ZoTDJoa1pDODRPVEl3TVRZMk1qTTJNVGt3TDBJek5qa3dMbXB3Wnd8MjY3ZjBkZDU3MjEyNmM4YTEzOTMzYWUyNTM3NmI3NGQ4ZTg2NDQyNTlmZDljZmY2OGU2ZmJlNjc3ZjhkM2VhNg "tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate")
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![tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate](/_ui/responsive/theme-tci/images/missing_product_zoom.webp "tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate")
Purity: >98.0%(HPLC)(N)
Synonyms:
- Atorvastatin Acetonide tert-Butyl Ester
Product Documents:
| Size | Unit Price | Philadelphia, PA | Portland, OR | Japan* | Quantity |
Shipping Information
|
|---|---|---|---|---|---|---|
| 1G |
$32.00
|
1 | 1 | 1 |
|
|
| 5G |
$109.00
|
1 | Ships from Philadelphia the same day* | 4 |
|
* Items in stock locally typically ship the same day of ordering. Items from Japan stock are able to ship from a US warehouse within 2 weeks after ordering. For additional estimated shipment times, please refer to the Shipping Simulation tool. Note: Excludes regulated items and items that ship on ice.
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| Product Number | B3690 |
Purity / Analysis Method 
|
>98.0%(HPLC)(N) |
| Molecular Formula / Molecular Weight | C__4__0H__4__7FN__2O__5 = 654.82 |
| Physical State (20 deg.C) | Solid |
| Storage Temperature
|
Room Temperature (Recommended in a cool and dark place, <15°C) |
| CAS RN | 125971-95-1 |
| Reaxys Registry Number | 5370240 |
| PubChem Substance ID | 125307955 |
| SDBS (AIST Spectral DB) | 52952 |
| MDL Number | MFCD04039904 |
Specifications
| Appearance | White to Almost white powder to crystal |
| Purity(HPLC) | min. 98.0 area% |
| Purity(with Total Nitrogen) | min. 98.0 % |
| Melting point | 144.0 to 148.0 °C |
| Specific rotation [a]20/D | +5.0 to +8.0 deg(C=1, CHCl3) |
| NMR | confirm to structure |
Properties (reference)
| Melting Point | 146 °C |
| Specific Rotation | 7° (C=1,CHCl3) |
| Solubility (soluble in) | Chloroform |
GHS
Related Laws:
Transport Information:
| HS Number | 2933.99.7900 |
Application
A Key Synthetic Intermediate of Atorvastatin
This product is a key synthetic intermediate of atorvastatin [A2476, Ca salt] which is a potent HMG-CoA ((3-hydroxy-3-methylglutaryl coenzyme A) reductase inhibitor.
References
- Concise synthesis of atorvastatin lactone under high-speed vibration milling conditions
- Total synthesis of atorvastatin via a late-stage, regioselective 1,3-dipolar munchnone cycloaddition
- An improved kilogram-scale preparation of atorvastatin calcium
- Stress degradation behavior of atorvastatin calcium and development of a suitable stability-indicating LC method for the determination of atorvastatin, its related impurities, and its degradation products
Application
Synthesis of atorvastatin calcium
References
- The convergent synthesis of CI-981, an optically active, highly potent, tissue selective inhibitor of HMG-CoA reductase
PubMed Literature
Product Documents (Note: Some products will not have analytical charts available.)
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