Dehydro Simvastatin

Base Information

• Chemical Name: Dehydro Simvastatin
• CAS No.: 210980-68-0
• Molecular Formula: C₂₅H₃₆O₄
• Molecular Weight: 400.558
• Hs Code.: 2932206000
• Mol file: 210980-68-0.mol

Synonyms:anhydrosimvastatin

Chemical Property of Dehydro Simvastatin

Chemical Property:

• Melting Point: 57 - 60°C
• Boiling Point: 536.8±50.0 °C(Predicted)
• Density: 1.07±0.1 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan

Purity/Quality:

97% ^*data from raw suppliers

DehydroSimvastatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Dehydro Simvastatin (Simvastatin EP Impurity C) is a Simvastatin (S485000) impurity.

Technology Process of Dehydro Simvastatin

There total 6 articles about Dehydro Simvastatin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.9%

simvastatin acetate (145576-25-6) → anhydrosimvastatin (210980-68-0) + simvastatin (123049-81-0,79902-63-9) + simvastatin acid (121009-77-6)

Guidance literature:

With methanol; ammonia; water; esterase SEQ ID NO:4 (encoded by SEQ ID NO:3); In toluene; pH=7; Product distribution / selectivity; Tris buffer; Enzymatic reaction;

Reference yield: 43.0%

C21H30O5 (145576-24-5) + 2,2-dimethylbutanoyl chloride (5856-77-9) → anhydrosimvastatin (210980-68-0) + simvastatin acetate (145576-25-6) + bis-simvastatin (851402-85-2)

Guidance literature:

With pyridine; dmap; at 0 - 40 ℃; for 48h; Product distribution / selectivity;

Reference yield:

C21H30O5 (145576-24-5) + C23H32O6 (850920-00-2) + (S)-2-methyl-butyric acid (3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-acetoxy-6-oxo-tetrahydro-pyran-2yl]-ethyl}-3,7-dimetyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester (81189-92-6) + α,α-dimethylbutanoic anhydride (29138-64-5) + (4R,6R)-4-hydroxy-6-(2-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)tetrahydro-2H-pyran-2-one (151006-15-4,79952-42-4,76343-78-7,81739-25-5) → anhydrosimvastatin (210980-68-0) + simvastatin acetate (145576-25-6) + bis-simvastatin (851402-85-2) + 4-simvastain-8-lovastatin (851402-84-1) + simvastatin (123049-81-0,79902-63-9)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; acetonitrile; at 40 ℃; for 0.5 - 17.5h;

upstream raw materials:

C₂₁H₃₀O₅

2,2-dimethylbutanoyl chloride

C₂₃H₃₂O₆

(S)-2-methyl-butyric acid (3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-acetoxy-6-oxo-tetrahydro-pyran-2yl]-ethyl}-3,7-dimetyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester