Methyl-13C-triphenylphosphonium iodide

Base Information

• Chemical Name: Methyl-13C-triphenylphosphonium iodide
• CAS No.: 81826-67-7
• Molecular Formula: C19H18IP
• Molecular Weight: 405.219
• European Community (EC) Number: 688-568-1
• DSSTox Substance ID: DTXSID40451951
• Mol file: 81826-67-7.mol

Synonyms:Methyl-13C-triphenylphosphonium iodide;81826-67-7;(Methyl-13c)triphenylphosphonium iodide;(113C)methyl(triphenyl)phosphanium;iodide;SCHEMBL1332328;DTXSID40451951;13C Labeled Methyltriphenylphosphonium iodide;Methyl-13C-triphenylphosphonium iodide, 99 atom % 13C

Chemical Property of Methyl-13C-triphenylphosphonium iodide

Chemical Property:

• Melting Point: 186-188 °C(lit.)
• PSA: 13.59000
• LogP: 0.61430
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 405.02244
• Heavy Atom Count: 21
• Complexity: 235

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

METHYL-13C-TRIPHENYLPHOSPHONIUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
• Isomeric SMILES: [13CH3][P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Technology Process of Methyl-13C-triphenylphosphonium iodide

There total 2 articles about Methyl-13C-triphenylphosphonium 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: 100.0%

[13C]methyl iodide (4227-95-6) + triphenylphosphine (603-35-0) → [13C]-methyltriphenylphosphonium iodide (81826-67-7)

Guidance literature:

In toluene;

DOI:10.1016/S0040-4039(03)00690-7 DOI:10.1016/j.tetlet.2004.11.073

Reference yield:

[13C]methyl iodide (4227-95-6) → [13C]-methyltriphenylphosphonium iodide (81826-67-7)

Guidance literature:

With triphenylphosphine; In toluene; at -10 - 20 ℃; for 72h; Inert atmosphere;

DOI:10.1021/ja408238n

Reference yield: 95.0%

[13C2]-acetylimidazole + [13C]-methyltriphenylphosphonium iodide (81826-67-7) → 1-triphenylphosphoranylidene-13C3-2-propanone (327048-79-3)

Guidance literature:

[13C]-methyltriphenylphosphonium iodide; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

[¹³C₂]-acetylimidazole; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.joc.7b03216

upstream raw materials:

[13C]methyl iodide

triphenylphosphine

Downstream raw materials:

ethyl 2-<4-<(2-13C)ethenyl>phenoxy>-2-methylpropanoate

(E)-1,4-diphenyl(6-13C)hexa-1,5-diene

Benzyl-(<1,5-13C2>-4-pentenyl)-ether

methylenetriphenylphosphorane-methylene-13C