CAS 125971-94-0

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

Description:

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, with the CAS number 125971-94-0, is a chemical compound characterized by its complex structure, which includes a dioxane ring and various functional groups such as a cyanomethyl group and an acetate moiety. This compound is likely to exhibit properties typical of dioxane derivatives, including potential solubility in organic solvents and stability under certain conditions. The presence of the cyanomethyl group suggests potential reactivity, particularly in nucleophilic addition reactions. The stereochemistry indicated by the (4R,6R) configuration may influence its biological activity and interactions with other molecules. As with many organic compounds, its physical properties such as boiling point, melting point, and density would depend on the specific molecular interactions and the presence of functional groups. Safety data and handling precautions should be consulted, as compounds with cyanide functionalities can pose toxicity risks. Overall, this compound may have applications in organic synthesis or as an intermediate in pharmaceutical development.

Formula: C₁₄H₂₃NO₄

InChI: InChI=1/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1

InChI key: InChIKey=DPNRMEJBKMQHMC-GHMZBOCLSA-N

SMILES: C(C(OC(C)(C)C)=O)[C@@H]1OC(C)(C)O[C@H](CC#N)C1

Synonyms:

• ((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester
• (4R,3R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R,6R)-Tert-Butyl-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate
• (4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate (ATS-8)
• (4R,Cis)-1,1-dimethylethyl-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R-cis)-1,1-Dimethylethyl-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R-cis)-1,1-Dimethylethyl-6-Cyanomethyl-2,2-dlmethyl-1,3-dioxane-4-acetate
• (6R-Cyanomethyl-2,2-dimethyl-[1,3]dioxan-4R-yl)acetic acid tert-butyl ester
• 1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
• 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
• 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-
• ATS-8(for Atorvastatin)
• Ast-8
• Atorvastatin Calcium Intermediate ATS-8
• AtorvastatinCalcium(ATS-8)
• Ats-8
• Tert-Butyl (4R,3R)-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate
• Tert-Butyl 2-((4R,6R)-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl) acetate
• tert-Butyl(3R,5R)-6-cyano-3,5-O-iso-propylidene-3,5-dihydroxyhexanoate
• tert-butyl [(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
• (4R,CIS)-1,1-DIMETHYLETHYL-6-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE(ATS-8)
• Intermediateofatorvastatinecalcium(CAS#134523-03-8)
• (4R,6R)-Tert-Butyl-6-Cyanometh
• 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-1,1-dimethylethylester
• Ats-8:(4R,Cis)-1,1-Dimethylethyl-Cyanomethyl-2,2-Dimethyl
• ATS-8:(4R-CIS)-T-ETHYL-6-CYANOMETHYL-2,2-DIMETHYL-1,2-DIMETHYL-1,2-DIONMANO 1 ACETATE
• (4R-Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dio-cxane-4-acetate
• (4R,6R)-t-Butyl-6-AMINOMETHYL-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R,6R)-t-butyl-6-cyanomethyl02,2-dimethyl-1,3-dioxane-4-acetate
• ATS 8 (4R,CIS)-1,1-DIMETHYLETHY-L-CYANOMETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
• TERT-BUTYL[(4R,6R)-6-CYANOMETHYL-1,3-DIOXAN-4-YL]ACETATE
• (4R-cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dloxane-4-acetate

tert-Butyl (4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

CAS: 125971-94-0

Formula: C₁₄H₂₃NO₄

Purity: >98.0%(GC)(N)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 269.34

Ref: 3B-B3642

1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

CAS: 125971-94-0

Formula: C₁₄H₂₃NO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 269.3367

Ref: IN-DA000QLY

Tert-Butyl 2-((4R,6R)-6-(Cyanomethyl)-2,2-Dimethyl-1,3-Dioxan-4-yl)Acetate

CAS: 125971-94-0

Tert-Butyl 2-((4R,6R)-6-(Cyanomethyl)-2,2-Dimethyl-1,3-Dioxan-4-yl)Acetate

Purity: 99%

Molecular weight: 269.34g/mol

Ref: 54-OR1015132

Atorvastatin Impurity 21

CAS: 125971-94-0

Formula: C₁₄H₂₃NO₄

Color and Shape: White To Off-White Solid

Molecular weight: 269.34

Ref: 4Z-A-1257

1,1-Dimethylethyl 2-[(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

CAS: 125971-94-0

Color and Shape: Neat

Ref: 86-MM0400.37

(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester

Controlled Product

CAS: 125971-94-0

Applications (4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester is an intermediate of Atorvastatin (A791750, Ca salt), a selective, competitive HMG-CoA reductase . Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia.
References Kearney, A.S., et al.: Pharm. Res., 10, 1461 (1993), Heinonen, T.M., et al.: Clin. Ther., 18, 853 (1996), Whitfield, L.R., et al.: Eur. J. Drug Metab. Pharmacokinet., 25, 97 (2000),

Formula: C₁₄H₂₃NO₄

Color and Shape: Neat

Molecular weight: 269.34

Ref: TR-C982020

tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

CAS: 125971-94-0

tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate is a high quality and versatile chemical reagent that has been widely used in the synthesis of complex compounds. It is an intermediate for the production of fine chemicals and speciality chemicals. It can be used as a building block for various chemical reactions because it is a versatile building block with many functional groups that are reactive under different conditions.

Formula: C₁₄H₂₃NO₄

Purity: Min. 98.0 Area-%

Molecular weight: 269.34 g/mol

Ref: 3D-Q-102783

Atorvastatin Acetonide t-Butyl Ester Side Chain (4R,6R)-Isomer

CAS: 125971-94-0

Formula: C₁₄H₂₃NO₄

Molecular weight: 269.34

Ref: ST-EA-CP-A32061