methyl-d3-magnesium iodide

Base Information

• Chemical Name: methyl-d3-magnesium iodide
• CAS No.: 41251-37-0
• Molecular Formula: CH₃IMg
• Molecular Weight: 169.221
• European Community (EC) Number: 803-764-0
• DSSTox Substance ID: DTXSID70459001
• Mol file: 41251-37-0.mol

Synonyms:methyl-d3-magnesium iodide

Chemical Property of methyl-d3-magnesium iodide

Chemical Property:

• Flash Point: ?40?°F
• Density: 0.871?g/mL?at 25?°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.93182
• Heavy Atom Count: 3
• Complexity: 0

Purity/Quality:

98% ^*data from raw suppliers

Methyl-d3-magnesiumIodide,~1.0?Mindiethylether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3587273
• Hazard Codes: F+,C,F
• Statements: 12-14/15-22-66-67-34-19-11
• Safety Statements: 16-36/37/39-43-45-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [CH3-].[Mg+2].[I-]
• Isomeric SMILES: [2H][C-]([2H])[2H].[Mg+2].[I-]
• Uses: Methyl-d3-magnesium Iodide is used as a reagent in the synthesis of Anacetrapib-d3 (A637202); a labelled orally active and potent cholesterol ester transfer protein (CETP) inhibitor for the treatment of atherosclerosis, in particular dyslipidemia.

Technology Process of methyl-d3-magnesium iodide

There total 2 articles about methyl-d3-magnesium iodide 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:

iodomethane-d3 (865-50-9) → methyl-d3-magnesium iodide (41251-37-0)

Guidance literature:

With magnesium; In solid matrix; at -258.2 ℃;

DOI:10.1021/ja00530a028

Reference yield:

pyridino tribromogold (21524-04-9) → (dimethyl-d6)gold iodide dimer + methyl-d3-magnesium iodide (41251-37-0)

Guidance literature:

In diethyl ether; react. of pyridino tribromogold with a 6-fold excess of freshly prepd. CD3MgI;

DOI:10.1021/om00112a033

Reference yield: 96.0%

(1R,3aR,4S,7aR)-4-{1-[4-(tert-butyl-dimethyl-silanyloxy)-7a-methyl-octahydro-inden-1-yl]-cyclopropyl}ethyl-butyric acid methyl ester (932383-69-2) + methyl-d3-magnesium iodide (41251-37-0) → (1R,3aR,4S,7aR)-5-{1-[4-(tert-butyl-dimethyl-silanyloxy)-7a-methyl-octahydro-inden-1-yl]-cyclopropyl}-1,1,1-2-trideutero-2-trideuteromethyl-pentan-2-ol (932383-70-5)

Guidance literature:

(1R,3aR,4S,7aR)-4-{1-[4-(tert-butyl-dimethyl-silanyloxy)-7a-methyl-octahydro-inden-1-yl]-cyclopropyl}ethyl-butyric acid methyl ester; methyl-d3-magnesium iodide; In diethyl ether; at 0 - 20 ℃; for 1.5h;

With water; ammonium chloride; In diethyl ether; at 0 ℃;

upstream raw materials:

iodomethane-d3

pyridino tribromogold

Downstream raw materials:

1,2,4-Trimethyl-4-trideuteriomethyl-3-methylencyclobuten

2-<²H₃>methylpyrazine

3-penten-2-ol-1,1,1-d3

3-methyl-3-buten-2-ol-1,1,1-d3