simvastatin acid

Base Information

• Chemical Name: simvastatin acid
• CAS No.: 121009-77-6
• Molecular Formula: C25H40 O6
• Molecular Weight: 436.589
• Mol file: 121009-77-6.mol

Synonyms:1-Naphthaleneheptanoicacid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-, [1S-[1a(bS*,dS*),2a,6b,8b,8aa]]-; L 654969; Simvastatin acid;Simvastatin carboxylic acid; Simvastatin hydroxy acid; Tenivastatin

Chemical Property of simvastatin acid

Chemical Property:

• Vapor Pressure: 2.89E-17mmHg at 25°C
• Boiling Point: 607°Cat760mmHg
• PKA: 4.31±0.10(Predicted)
• Flash Point: 198.2°C
• PSA: 104.06000
• Density: 1.13g/cm³
• LogP: 4.10570

Purity/Quality:

97% ^*data from raw suppliers

SIMVASTATIN IMPURITY-A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of simvastatin acid

There total 17 articles about simvastatin acid 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: 90.0%

simvastatin (123049-81-0,79902-63-9) → simvastatin acid (121009-77-6)

Guidance literature:

With water; calcium hydroxide; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 88.0%

C28H44O6 → simvastatin acid (121009-77-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

upstream raw materials:

simvastatin

simvastatin acetate

bis-simvastatin

simvastatin ammonium salt

Downstream raw materials:

C₅₀H₇₆O₁₀

simvastatin ammonium salt

simvastatin

Refernces

• 1、 Sokalska, Anna,Hawkins, Amanda B.,Yamaguchi, Toshia,Duleba, Antoni J.. "Lipophilic statins inhibit growth and reduce invasiveness of human endometrial stromal cells". . p. 535 - 541. Retrieved 2019/01/04.
• 2、 Bhatia, Manish S.,Jadhav, Swapnil D.,Dhavale, Rakesh P.,Choudhari, Prafulla B.. "Rational design of colorimetric reagent for sensitivity and selectivity enhancement for β hydroxy acid of simvastatin". . p. 496 - 501. Retrieved 2013/08/23.