4-(2-Iodoethyl)benzotrifluoride

Base Information

• Chemical Name: 4-(2-Iodoethyl)benzotrifluoride
• CAS No.: 178685-14-8
• Molecular Formula: C9H8F3I
• Molecular Weight: 300.062
• DSSTox Substance ID: DTXSID10593418
• Wikidata: Q82487907
• Mol file: 178685-14-8.mol

Synonyms:4-(2-Iodoethyl)benzotrifluoride;178685-14-8;1-(2-Iodoethyl)-4-(trifluoromethyl)benzene;Benzene, 1-(2-iodoethyl)-4-(trifluoromethyl)-;SCHEMBL2657293;4-trifluoromethylphenethyl iodide;DTXSID10593418;AC4794;MFCD18207440;AKOS027256900;SY027728;DB-228814;1-(2-Iodo-ethyl)-4-trifluoromethyl-Benzene;CS-0433357;A924986

Chemical Property of 4-(2-Iodoethyl)benzotrifluoride

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 299.96228
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCI)C(F)(F)F

Technology Process of 4-(2-Iodoethyl)benzotrifluoride

There total 4 articles about 4-(2-Iodoethyl)benzotrifluoride 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: 93.0%

2-(4-trifluoromethylphenyl)ethanol (2968-93-6) → 1-(2-iodoethyl)-4-(trifluoromethyl)benzene (178685-14-8)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 1.16667h; Inert atmosphere;

DOI:10.1055/s-0040-1707524

Reference yield:

4-Trifluoromethylphenylacetic acid (32857-62-8) → 1-(2-iodoethyl)-4-(trifluoromethyl)benzene (178685-14-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / Me₂S*BH₃ / tetrahydrofuran

2: I₂; PPh₃; imidazole / CH₂Cl₂ / 20 °C

With 1H-imidazole; dimethylsulfide borane complex; iodine; triphenylphosphine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2006.10.080

Reference yield:

2-[4-(trifluoromethyl)phenyl]ethyl bromide (130365-87-6) → 1-(2-iodoethyl)-4-(trifluoromethyl)benzene (178685-14-8)

Guidance literature:

With sodium iodide; In acetone; for 6h; Reflux;

DOI:10.1016/j.steroids.2010.01.008

upstream raw materials:

2-(4-trifluoromethylphenyl)ethanol

4-Trifluoromethylphenylacetic acid

2-[4-(trifluoromethyl)phenyl]ethyl bromide

Downstream raw materials:

(+)-octahydro-3,6α-dimethyl-3,12-epoxy-9α-(3'-(p-trifluoromethylphenyl)propyl)-12H-pyrano[4,3j]-1,2-benzodioxepin-10(3H)-one

(+)-octahydro-3,6α-dimethyl-3,12-epoxy-9β-(3'-(p-trifluoromethylphenyl)propyl)-12H-pyrano[4,3j]-1,2-benzodioxepin-10(3H)-one

2-methyl-2-{3-[2-(4-trifluoromethyl-phenyl)-ethylamino]-phenoxy}-propionic acid ethyl ester

C₃₄H₄₉F₃O₂Si

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 178685-14-8 Benzene, 1-(2-iodoethyl)-4-(trifluoromethyl)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send