SIMVASTATIN-D6

Base Information

• Chemical Name: SIMVASTATIN-D6
• CAS No.: 1002347-71-8
• Molecular Formula: C25H32D6O5
• Molecular Weight: 424.6
• Mol file: 1002347-71-8.mol

Synonyms:SIMVASTATIN-D6;Simvastatin-d6

Chemical Property of SIMVASTATIN-D6

Chemical Property:

• Melting Point: 134-136°C
• PSA: 72.83000
• LogP: 4.58560
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

Simvastatin-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Deuterated Simvastatin, a competitive inhibitor of HMG-CoA reductase. It can decend Antilipemic. Deuterated Simvastatin, a competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic. Labeled Simvastatin, intended for use as an internal standard for the quantification of Simvastatin by GC- or LC-mass spectrometry.

Technology Process of SIMVASTATIN-D6

There total 8 articles about SIMVASTATIN-D6 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: 70.5%

C31H46(2)H6O5Si (1335460-29-1) → C25H32(2)H6O5 (1002347-71-8)

Guidance literature:

With tetrabutyl ammonium fluoride; acetic acid; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1002/jlcr.1906

Reference yield:

2-chloro-1,1,1-trideuterio-2-trideuteriomethyl-butane (89603-08-7) → C25H32(2)H6O5 (1002347-71-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: iodine; magnesium / diethyl ether / 4 h / 26 °C

1.2: 0.33 h / -5 °C

1.3: Cooling with ice

2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 20 °C

3.1: pyridine; dmap / dichloromethane / 8.17 h / 0 - 90 °C

4.1: tetrabutyl ammonium fluoride; acetic acid / tetrahydrofuran / 8 h / 20 °C

With pyridine; dmap; oxalyl dichloride; tetrabutyl ammonium fluoride; iodine; magnesium; acetic acid; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1002/jlcr.1906

Reference yield:

lovastatin (75330-75-5,79952-44-6) → C25H32(2)H6O5 (1002347-71-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: lithium hydroxide / water / 68 h / Inert atmosphere; Reflux

1.2: 0 °C / pH 2

2.1: toluene / 3 h / Reflux

3.1: 1H-imidazole / N,N-dimethyl-formamide / 20 h / 20 °C

4.1: pyridine; dmap / dichloromethane / 8.17 h / 0 - 90 °C

5.1: tetrabutyl ammonium fluoride; acetic acid / tetrahydrofuran / 8 h / 20 °C

With pyridine; 1H-imidazole; dmap; tetrabutyl ammonium fluoride; acetic acid; lithium hydroxide; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; toluene;

DOI:10.1002/jlcr.1906

upstream raw materials:

C₆H₅⁽²⁾H₆ClO

(4R,6R)-6-[2-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthyl)ethyl]-4-[(tert-butyldimethylsilyl)oxy]-3,4,5,6-tetrahydro-2H-pyran-2-one

C₃₁H₄₆⁽²⁾H₆O₅Si

2-chloro-1,1,1-trideuterio-2-trideuteriomethyl-butane