Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester

Base Information

Chemical Name:Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester
CAS No.:654074-74-5
Molecular Formula:C12H14I2O3
Molecular Weight:460.05
Hs Code.:
DSSTox Substance ID:DTXSID10477547
Wikidata:Q82310318

Synonyms:654074-74-5;Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester;DTXSID10477547

Suppliers and Price of Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:459.90324
Heavy Atom Count:17
Complexity:236

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)I)OCCCC(=O)OC)I

Technology Process of Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester

There total 1 articles about Butanoic acid, 4-(2,6-diiodo-4-methylphenoxy)-, methyl ester 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: 73.0%

: 2432-18-0
2,6-diiodo-4-methylphenol

: 55444-67-2
trimethyl ortho-4-bromobutanoate

: 654074-74-5
methyl 4-(2,6-diiodo-4-methyl)phenoxybutyrate

Guidance literature:: 2,6-diiodo-4-methylphenol; trimethyl ortho-4-bromobutanoate; With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 60 ℃; for 48h;

With acetic acid; In dichloromethane;
DOI:10.1021/ja038484x

Reference yield: 87.0%

: 221292-51-9
1,4-dipropyloxy-2-ethynyl-5-(2-triisopropylsilylethinyl)benzene

: 654074-74-5
methyl 4-(2,6-diiodo-4-methyl)phenoxybutyrate

: 654074-75-6
methyl-4-(2,6-bis{2-[2,5-dipropyloxy-4-(2-triisopropylsilylethynyl)phenyl]ethynyl}-4-methyl)phenoxybutyrate

Guidance literature:: In tetrahydrofuran; triethylamine; at 20 - 50 ℃; for 25h;
DOI:10.1021/ja038484x

Reference yield:

: 654074-74-5
methyl 4-(2,6-diiodo-4-methyl)phenoxybutyrate

: 654074-79-0
methyl-4-{2,6-bis[2-(2,5-dipropyloxy-4-{2-[3-(tetrahydro-2H-pyran-2-yloxy)-5-ethynylphenyl]ethynyl}phenyl)ethynyl]-4-methyl}phenoxybutyrate

Guidance literature:: Multi-step reaction with 5 steps

1: 87 percent / triethylamine; tetrahydrofuran / 25 h / 20 - 50 °C

2: 74 percent / aq. Bu₄NF / tetrahydrofuran / 2 h / 20 °C

3: 81 percent / Pd(PPh₃)2Cl₂; CuI / triethylamine / 18 h / 60 °C

4: 86 percent / Pd(PPh₃)2Cl₂; CuI; piperidine / 16 h / 60 °C

5: 89 percent / K₂CO₃; MeOH / tetrahydrofuran / 26 h / 20 °C

With piperidine; methanol; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; potassium carbonate; In tetrahydrofuran; triethylamine; 1: Hagihara-Sonogashira coupling;
DOI:10.1021/ja038484x