alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene

Base Information

Chemical Name:alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene
CAS No.:94022-98-7
Molecular Formula:C9H8 F3 I
Molecular Weight:300.062
Hs Code.:2903999090
European Community (EC) Number:301-593-1
DSSTox Substance ID:DTXSID20240289
Nikkaji Number:J348.982E
Wikidata:Q83123071
Mol file:94022-98-7.mol

Synonyms:alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene;94022-98-7;EINECS 301-593-1;C9H8F3I;SCHEMBL7330366;DTXSID20240289;HIPIOCUVIHLDIP-UHFFFAOYSA-N;C9-H8-F3-I;1-(2-Iodoethyl)-2-trifluoromethylbenzene

Suppliers and Price of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene

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 6 raw suppliers

Chemical Property of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene

Chemical Property:

Boiling Point:235.3°Cat760mmHg
Flash Point:96.4°C
PSA：0.00000
Density:1.718g/cm³
LogP:3.68290
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:155

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CCI)C(F)(F)F

Technology Process of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene

There total 1 articles about alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene 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:

: 94022-96-5
2-[2-(trifluoromethyl)phenyl]ethanol

: 94022-98-7
1-(2-Iodo-ethyl)-2-trifluoromethyl-benzene

Guidance literature:: With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane;
DOI:10.1021/jm970498o

Reference yield:

: 94022-98-7
1-(2-Iodo-ethyl)-2-trifluoromethyl-benzene

: (1R,2R)-2-[3-(2-Trifluoromethyl-phenyl)-propionyl]-cyclopropanecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Zn(Cu), 2.) Pd(Ph₃P)4 / 1.) benzene, N,N-dimethylacetamide, 60 deg C, 2.) benzene, N,N-dimethylacetamide, RT

2: aq. NaOH / ethanol / 70 °C

With sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; zinc copper; In ethanol;
DOI:10.1021/jm970498o

Reference yield:

: 94022-98-7
1-(2-Iodo-ethyl)-2-trifluoromethyl-benzene

: (1R,2R)-2-[1-Amino-1-carboxy-3-(2-trifluoromethyl-phenyl)-propyl]-cyclopropanecarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) Zn(Cu), 2.) Pd(Ph₃P)4 / 1.) benzene, N,N-dimethylacetamide, 60 deg C, 2.) benzene, N,N-dimethylacetamide, RT

2: aq. NaOH / ethanol / 70 °C

3: ethanol; H₂O / 55 - 60 °C

4: 30 percent / 1.5 N aq. Ba(OH)2 / 250 °C

With barium dihydroxide; sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; zinc copper; In ethanol; water;
DOI:10.1021/jm970498o