(Methyl)triphenylphosphonium Iodide-d3

Base Information

• Chemical Name: (Methyl)triphenylphosphonium Iodide-d3
• CAS No.: 1560-56-1
• Molecular Formula: C19H15 D3 P . I
• Molecular Weight: 407.206
• European Community (EC) Number: 693-213-9
• DSSTox Substance ID: DTXSID30584126
• Mol file: 1560-56-1.mol

Synonyms:1560-56-1;(Methyl)triphenylphosphonium Iodide-d3;Methyl-d3-triphenylphosphonium iodide;triphenyl(trideuteriomethyl)phosphanium;iodide;Methyltriphenylphosphonium iodide-d3;Phosphonium, methyl-d3-triphenyl-, iodide (1:1);SCHEMBL1332158;HY-Y0503S;DTXSID30584126;CS-0567896;(METHYL-D3)TRIPHENYLPHOSPHONIUM IODIDE;(~2~H_3_)Methyl(triphenyl)phosphanium iodide;D98573;J-009273;Methyl-d3-triphenylphosphonium iodide, 95 atom % D

Chemical Property of (Methyl)triphenylphosphonium Iodide-d3

Chemical Property:

• Melting Point: 186-188 °C(lit.)
• PSA: 13.59000
• LogP: 0.61430
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 407.03792
• Heavy Atom Count: 21
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

(Methyl)triphenylphosphoniumIodide-d3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

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: [2H]C([2H])([2H])[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
• Uses: Wittig Reagent

Technology Process of (Methyl)triphenylphosphonium Iodide-d3

There total 4 articles about (Methyl)triphenylphosphonium Iodide-d3 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%

methyl-triphenylphosphonium iodide (2065-66-9) → (methyl-d3)triphenylphosphonium iodide (1560-56-1)

Guidance literature:

With 4 A molecular sieve; water-d2; at 180 ℃; for 0.5h; under 9000.72 Torr; microwave irradiation;

DOI:10.1246/cl.2004.846

Reference yield: 100.0%

iodomethane-d3 (865-50-9) + triphenylphosphine (603-35-0) → (methyl-d3)triphenylphosphonium iodide (1560-56-1)

Guidance literature:

In tetrahydrofuran; for 1h; Reflux;

DOI:10.1016/j.jorganchem.2015.08.022

Reference yield:

triphenylphosphine (603-35-0) + C6H4(2)H3ClN(1+)*I(1-) → 3-Chloropyridine (626-60-8) + (methyl-d3)triphenylphosphonium iodide (1560-56-1)

Guidance literature:

In acetonitrile; at 130 ℃; Rate constant; oth. solvent, deuterium kinetic isotope effect;

upstream raw materials:

iodomethane-d3

triphenylphosphine

methyl-triphenylphosphonium iodide

Downstream raw materials:

(but-3-en-1-yl-4,4-d₂)benzene

isobutene-d8

C₁₂H₁₂⁽²⁾H₂

C₁₃H₁₄⁽²⁾H₂