Methyl iodo(triphenyl-lambda~5~-phosphanylidene)acetate

Base Information

• Chemical Name: Methyl iodo(triphenyl-lambda~5~-phosphanylidene)acetate
• CAS No.: 26480-86-4
• Molecular Formula: C₂₁H₁₈IO₂P
• Molecular Weight: 460.251
• DSSTox Substance ID: DTXSID20577325
• Wikidata: Q82467287
• Mol file: 26480-86-4.mol

Synonyms:26480-86-4;Methyl 2-iodo-2-(triphenylphosphoranylidene)acetate;Methyl iodo(triphenyl-lambda~5~-phosphanylidene)acetate;DTXSID20577325;methyl iodo(triphenylphosphoranylidene)acetate;Methyl2-iodo-2-(triphenylphosphoranylidene)acetate

Chemical Property of Methyl iodo(triphenyl-lambda~5~-phosphanylidene)acetate

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 460.00891
• Heavy Atom Count: 25
• Complexity: 446

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)I

Technology Process of Methyl iodo(triphenyl-lambda~5~-phosphanylidene)acetate

There total 4 articles about Methyl iodo(triphenyl-lambda~5~-phosphanylidene)acetate 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 (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) → methyl 2-iodo-2-(triphenylphosphoranylidene)acetate (26480-86-4)

Guidance literature:

With iodine; In methanol;

Reference yield:

methyl 2-bromo-2-(triphenylphosphanylidene)acetate (13504-77-3) → methyl 2-iodo-2-(triphenylphosphoranylidene)acetate (26480-86-4)

Guidance literature:

With potassium iodide; In methanol;

Reference yield:

(methyloxycarbonylmethyl)triphenylphosphonium bromide (1779-58-4) → methyl 2-iodo-2-(triphenylphosphoranylidene)acetate (26480-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / H₂O

2: KI / methanol

With bromine; potassium iodide; In methanol; water;

upstream raw materials:

methyl (triphenylphosphoranylidene)acetate

methyl 2-bromo-2-(triphenylphosphanylidene)acetate

(methyloxycarbonylmethyl)triphenylphosphonium bromide