1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-

Base Information

Chemical Name:1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-
CAS No.:81744-13-0
Molecular Formula:C₁₄H₈F₃NOSe
Molecular Weight:342.179
Hs Code.:
DSSTox Substance ID:DTXSID60231333
Wikidata:Q83112231
ChEMBL ID:CHEMBL5078831
Mol file:81744-13-0.mol

Synonyms:81744-13-0;1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-;2-(4-(Trifluoromethyl)phenyl)-1,2-benzisoselenazol-3(2H)-one;2-[4-(trifluoromethyl)phenyl]-1,2-benzoselenazol-3-one;C14H8F3NOSe;CHEMBL5078831;SCHEMBL10501768;C14-H8-F3-N-O-Se;DTXSID60231333;LS-33539

Suppliers and Price of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-

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 4 raw suppliers

Chemical Property of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-

Chemical Property:

Vapor Pressure:3.48E-07mmHg at 25°C
Boiling Point:417.7°Cat760mmHg
Flash Point:206.4°C
PSA：22.00000
Density:g/cm³
LogP:3.06650
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:342.97232
Heavy Atom Count:20
Complexity:379

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:C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)C(F)(F)F

Technology Process of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-

There total 6 articles about 1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)- 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: 76.0%

: 455-14-1
4-trifluoromethylphenylamine

: 1441-85-6
2-(chloroseleno)benzoyl chloride

: 81744-13-0
2-(4-trifluoromethylphenyl)-1,2-benzisoselenazol-3-one

Guidance literature:: In dimethyl sulfoxide; ethyl acetate; for 3h;

Reference yield:

: 1037904-52-1
C₁₄H₉F₃INO

: 81744-13-0
2-(4-trifluoromethylphenyl)-1,2-benzisoselenazol-3-one

Guidance literature:: With selenium; sodium t-butanolate; In N,N-dimethyl-formamide; at 130 ℃; for 12h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.1c00566

Reference yield:

: 134-20-3
2-carbomethoxyaniline

: 81744-13-0
2-(4-trifluoromethylphenyl)-1,2-benzisoselenazol-3-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydroxide; water / 6 h / 25 °C

2.1: hydrogenchloride; sodium nitrite / water / 1 h / Cooling with ice

2.2: 2 h / 60 °C

3.1: thionyl chloride / 5 h / Reflux

4.1: dimethyl sulfoxide; ethyl acetate / 3 h

With hydrogenchloride; thionyl chloride; water; sodium hydroxide; sodium nitrite; In water; dimethyl sulfoxide; ethyl acetate;