Iodomethane-13C

Base Information

• Chemical Name: Iodomethane-13C
• CAS No.: 4227-95-6
• Molecular Formula: CH3 I
• Molecular Weight: 142.928
• European Community (EC) Number: 629-268-2
• Nikkaji Number: J749.759H
• Mol file: 4227-95-6.mol

Synonyms:Iodomethane-13C;4227-95-6;iodo(113C)methane;Iodomethane-13C (Copper Wire Stabilized);Iodomethane 13C;Iodo(13C)methane;13C Labeled iodomethane;Iodomethane-13C (13C, 99%);MFCD00001075;AKOS015913587;CS-T-56736;Iodomethane-13C, contains copper as stabilizer;Iodomethane-13C, 99 atom % 13C, 99% (CP), contains copper as stabilizer

Chemical Property of Iodomethane-13C

Chemical Property:

• Vapor Pressure: 6.35 psi ( 20 °C)
• Melting Point: −66.5 °C(lit.)
• Refractive Index: n20/D 1.5293(lit.)
• Boiling Point: 42 °C(lit.)
• Flash Point: -33℃
• PSA: 0.00000
• Density: 2.290 g/mL at 25 °C
• LogP: 1.05120
• Storage Temp.: 2-8°C
• Solubility.: Chloroform
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.93130
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

99% ^*data from raw suppliers

Iodomethane-13C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xn
• Statements: 21-23/25-37/38-40-48/20/22-38-22
• Safety Statements: 36/37-38-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CI
• Isomeric SMILES: [13CH3]I
• Uses: Iodomethane-13C is used in the characterization of reactive intermediates in the Heck reaction. In addition it is incorporated into unnatural amino acids that are then used in the analysis of large pr oteins by NMR spectroscopy. Iodomethane-13C is used in the characterization of reactive intermediates in the Heck reaction. In addition it is incorporated into unnatural amino acids that are then used in the analysis of large proteins by NMR spectroscopy.

Technology Process of Iodomethane-13C

There total 8 articles about Iodomethane-13C 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:

methyl bromide-13C (51624-21-6) → [13C]methyl iodide (4227-95-6)

Guidance literature:

With sodium iodide; at 300 ℃;

DOI:10.1016/j.bmcl.2010.11.026

Reference yield:

[13C]methanol (14742-26-8) → [13C]methyl iodide (4227-95-6)

Guidance literature:

With hydrogen iodide; In water; at 70 ℃; for 6h; Inert atmosphere;

DOI:10.1021/op025530p

Reference yield:

carbon dioxide (1111-72-4) → methane (6532-48-5) + [13C]methyl iodide (4227-95-6)

Guidance literature:

With 2,6-dimethylpyridine; trimethylsilyl iodide; tris(pentafluorophenyl)borate; hydrogen; In chloroform-d1; at 100 ℃; for 20h; High pressure;

DOI:10.1002/anie.202112233

upstream raw materials:

methanol

carbon dioxide

[13C]Carbon monoxide

methyl iodide

Downstream raw materials:

<1-(13)C>methyl-4-methylbenzene

C₇⁽¹³⁾CH₁₀O

[methyl-13C]-L-methionine

trans--1-methoxy-2-methylcyclohexane

Refernces

• 1、 Grimme, Stefan,Jupp, Andrew R.,Qu, Zheng-Wang,Stephan, Douglas W.,Wang, Tongtong,Xu, Maotong. "Selective Catalytic Frustrated Lewis Pair Hydrogenation of CO2 in the Presence of Silylhalides". supporting information. p. 25771 - 25775. Retrieved 2021/11/09.
• 2、 Wang, Min,Gao, Mingzhang,Miller, Kathy D.,Sledge, George W.,Hutchins, Gary D.,Zheng, Qi-Huang. "The first synthesis of [11C]SB-216763, a new potential PET agent for imaging of glycogen synthase kinase-3 (GSK-3)". experimental part. p. 245 - 249. Retrieved 2011/02/27.