3-iodo-5-(trifluoromethyl)-1H-indole

Base Information

Chemical Name:3-iodo-5-(trifluoromethyl)-1H-indole
CAS No.:440363-05-3
Molecular Formula:C9H5F3IN
Molecular Weight:311.045
Hs Code.:
DSSTox Substance ID:DTXSID60459232
Wikidata:Q72484729
Mol file:440363-05-3.mol

Synonyms:3-iodo-5-(trifluoromethyl)-1H-indole;440363-05-3;3-IODO-5-TRIFLUOROMETHYL-1H-INDOLE;1H-Indole, 3-iodo-5-(trifluoromethyl)-;DTXSID60459232;PIINGUJOTQZZNZ-UHFFFAOYSA-N;FT-0743483;F18152

Suppliers and Price of 3-iodo-5-(trifluoromethyl)-1H-indole

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
Packaging
price

Total 10 raw suppliers

Chemical Property of 3-iodo-5-(trifluoromethyl)-1H-indole

Chemical Property:

Boiling Point:339.8 °C at 760 mmHg
PKA:14.44±0.30(Predicted)
Flash Point:159.3 °C
PSA：15.79000
Density:1.975g/cm³
LogP:3.79130
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:310.94188
Heavy Atom Count:14
Complexity:219

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1C(F)(F)F)C(=CN2)I

Technology Process of 3-iodo-5-(trifluoromethyl)-1H-indole

There total 3 articles about 3-iodo-5-(trifluoromethyl)-1H-indole 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: 80.0%

: 440363-04-2
2-(2-trimethylsilylethynyl)-4-trifluoromethylaniline

: 440363-05-3
3-iodo-5-trifluoromethyl-1H-indole

Guidance literature:: With copper(l) iodide; In N,N-dimethyl-formamide; at 100 ℃; for 2h;
DOI:10.3987/com-01-9411

Reference yield:

: 455-14-1
4-trifluoromethylphenylamine

: 440363-05-3
3-iodo-5-trifluoromethyl-1H-indole

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / benzyltrimethylammonium dichloroiodate; calcium carbonate / CH₂Cl₂; methanol / 2 h / 20 °C

2: 100 percent / triethylamine; CuI; bis(triphenylphosphine)dichloropalladium / 20 h / 20 °C

3: 80 percent / CuI / dimethylformamide / 2 h / 100 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N,N,N-trimethylbenzenemethanaminium dichloroiodate; triethylamine; calcium carbonate; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.3987/com-01-9411

Reference yield:

: 163444-17-5
2-iodo-4-(trifluoromethyl)aniline

: 440363-05-3
3-iodo-5-trifluoromethyl-1H-indole

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / triethylamine; CuI; bis(triphenylphosphine)dichloropalladium / 20 h / 20 °C

2: 80 percent / CuI / dimethylformamide / 2 h / 100 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide;
DOI:10.3987/com-01-9411