Iodo(2H3)methane

Base Information

• Chemical Name: Iodo(2H3)methane
• CAS No.: 865-50-9
• Molecular Formula: CD3I
• Molecular Weight: 144.916
• Hs Code.: 28459010
• European Community (EC) Number: 212-744-5
• DSSTox Substance ID: DTXSID20235599
• Nikkaji Number: J195.131I
• Wikidata: Q83117476
• Mol file: 865-50-9.mol

Synonyms:iodomethane;iodomethane-D3;methyl iodide;methyl iodide, 11C-labeled;methyl iodide, 131I-labeled;methyl iodide, 132I-labeled;methyl iodide, 13C-labeled;methyl iodide, 14C-labeled;methyl iodide, 2H-labeled

Chemical Property of Iodo(2H3)methane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 22.83 psi ( 55 °C)
• Melting Point: -66.5 °C(lit.)
• Refractive Index: n20/D 1.5262(lit.)
• Boiling Point: 40.3 °C at 760 mmHg
• Flash Point: 7.8 °C
• PSA: 0.00000
• Density: 2.269 g/cm³
• LogP: 1.05120
• Storage Temp.: 0-6°C
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 144.94678
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Iodomethane-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 21-23/25-34-40-42/43-37/38-53
• Safety Statements: 26-36/37/39-38-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CI
• Isomeric SMILES: [2H]C([2H])([2H])I
• Description: A deuterated form of iodomethane made from methanol-D4.IODOMETHANE-D3 is an important component in the organic synthesis of deuterium-labeled compounds.
• Uses: IODOMETHANE-D3 can be used as a methylating agent in organic synthesis. IODOMETHANE-D3 is used in the analysis of peptides and glycans using various analytical spectroscopic techniques.

Technology Process of Iodo(2H3)methane

There total 11 articles about Iodo(2H3)methane 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: 88.0%

1,1,1-trideuteromethanol (1849-29-2) → iodomethane-d3 (865-50-9)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen; iodine; triphenylphosphine; In tetrahydrofuran; at 20 ℃; under 15001.5 Torr; Reagent/catalyst; Solvent; Pressure; Temperature; Autoclave;

Reference yield: 85.0%

d(4)-methanol (811-98-3) → iodomethane-d3 (865-50-9)

Guidance literature:

With phosphorus; iodine; In water; Heating;

DOI:10.1002/jlcr.3446

Reference yield:

triethylsilyl iodide (1112-49-8) + carbon dioxide (1111-72-4) → iodomethane-d3 (865-50-9)

Guidance literature:

With 2,6-dimethylpyridine; tris(pentafluorophenyl)borate; deuterium; In chloroform-d1; at 100 ℃; for 70h; High pressure;

DOI:10.1002/anie.202112233

upstream raw materials:

1,1,1-trideuteromethanol

Trideutero-methylbromid

nefopam

d⁽⁴⁾-methanol

Downstream raw materials:

<3,3,3-D3>-1-Propanol

d₃-N-methylpyrrolidine

Methyl isobutyrate

methyl 2-methylpropanoate-3,3,3-d3

Refernces

• 1、 Coke,Mourning. "". . p. 4063. Retrieved 1967.
• 2、 Assante, Michele,Baillie, Sharon E.,Juba, Vanessa,Leach, Andrew G.,McKinney, David,Reid, Marc,Washington, Jack B.,Yan, Chunhui. "Trialkylammonium salt degradation: Implications for methylation and cross-coupling". . p. 6949 - 6963. Retrieved 2021/06/02.
• 3、 Komeyama, Kimihiro,Yamahata, Yuta,Osaka, Itaru. "Nickel and Nucleophilic Cobalt-Catalyzed Trideuteriomethylation of Aryl Halides Using Trideuteriomethyl p-Toluenesulfonate". supporting information. p. 4375 - 4378. Retrieved 2018/07/29.