1-Iodo-4-(2,2,2-trifluoroethoxy)benzene

Base Information

• Chemical Name: 1-Iodo-4-(2,2,2-trifluoroethoxy)benzene
• CAS No.: 530080-17-2
• Molecular Formula: C₈H₆F₃IO
• Molecular Weight: 302.035
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30599679
• Wikidata: Q82495598
• Mol file: 530080-17-2.mol

Synonyms:1-iodo-4-(2,2,2-trifluoroethoxy)benzene;530080-17-2;4-(2,2,2-Trifluoroethoxy)iodobenzene;SCHEMBL9458453;DTXSID30599679;FESYDYJCAHUCAT-UHFFFAOYSA-N;MFCD08458086;AKOS010660127;PS-7127;4-Iodo-beta,beta,beta-trifluorophenetole;DB-345814;O10416

Chemical Property of 1-Iodo-4-(2,2,2-trifluoroethoxy)benzene

Chemical Property:

• Boiling Point: 236.0±40.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.793±0.06 g/cm3(Predicted)
• LogP: 3.23230
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 301.94155
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2,2,2-Trifluoroethoxy)iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(F)(F)F)I

Technology Process of 1-Iodo-4-(2,2,2-trifluoroethoxy)benzene

There total 3 articles about 1-Iodo-4-(2,2,2-trifluoroethoxy)benzene 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: 68.0%

2,2,2-trifluoroethanol (75-89-8) + 4-iodophenylboronic acid (5122-99-6) → 1-iodo-4-(2,2,2-trifluoroethoxy)benzene (530080-17-2)

Guidance literature:

With pyridine; copper diacetate; sodium carbonate; In 1,2-dichloro-ethane; at 20 ℃; for 14h; Schlenk technique; Molecular sieve; Sealed tube;

DOI:10.1016/j.jfluchem.2016.07.008

Reference yield: 68.0%

→ 1-iodo-4-(2,2,2-trifluoroethoxy)benzene (530080-17-2)

Guidance literature:

With pyridine; copper diacetate; sodium carbonate; In dichloromethane; at 20 ℃; for 18h;

Reference yield: 41.0%

1,1,1-trifluoro-2-iodoethane (353-83-3) + p-Iodophenol (540-38-5) → 1-iodo-4-(2,2,2-trifluoroethoxy)benzene (530080-17-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d1cc06591b

upstream raw materials:

2,2,2-trifluoroethanol

4-iodophenylboronic acid

1,1,1-trifluoro-2-iodoethane

p-Iodophenol

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