4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile

Base Information

Chemical Name:4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile
CAS No.:128886-91-9
Molecular Formula:C₉H₄F₃N₃
Molecular Weight:211.146
Hs Code.:
DSSTox Substance ID:DTXSID601217131

Synonyms:4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile;128886-91-9;4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzonitrile;4-[3-(Trifluoromethyl)diazirin-3-yl]benzonitrile;DTXSID601217131;MFCD31922732;AKOS037648624;BS-14903;CS-0161003;D80420;A929132;EN300-23013907

Suppliers and Price of 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile

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

Ambeed
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile 95%
5g
$ 3804.00

Ambeed
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile 95%
1g
$ 884.00

Ambeed
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile 95%
250mg
$ 318.00

Total 3 raw suppliers

Chemical Property of 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:211.03573163
Heavy Atom Count:15
Complexity:324

Purity/Quality:

97% ^*data from raw suppliers

4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C2(N=N2)C(F)(F)F

Technology Process of 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile

There total 3 articles about 4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzonitrile 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:

: 128886-88-4
4-<3-trifluoromethyl-3H-diazirin-3-yl>benzaldehyde

: 128886-91-9
3-(4-Cyanophenyl)-3-trifluoromethyldiazirine

Guidance literature:: Multi-step reaction with 2 steps

1: NH₂OH*HCl, NaOH / ethanol / 2 h / 50 °C

2: 1.) MsCl, Et₃N, 2.) tetramethylguanidine / 1.) THF, 40 deg C, 30 min, 2.) 40 deg C, 2 h

With sodium hydroxide; 1,1,3,3-tetramethylguanidine; hydroxylamine hydrochloride; methanesulfonyl chloride; triethylamine; In ethanol;
DOI:10.1016/0040-4039(90)80080-6

Reference yield:

: 92367-11-8
3-[4'-(bromomethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine

: 128886-91-9
3-(4-Cyanophenyl)-3-trifluoromethyldiazirine

Guidance literature:: Multi-step reaction with 3 steps

1: i-PrNO₂, NaOEt / ethanol / 1 h / 70 °C

2: NH₂OH*HCl, NaOH / ethanol / 2 h / 50 °C

3: 1.) MsCl, Et₃N, 2.) tetramethylguanidine / 1.) THF, 40 deg C, 30 min, 2.) 40 deg C, 2 h

With sodium hydroxide; 2-nitropropane; 1,1,3,3-tetramethylguanidine; hydroxylamine hydrochloride; sodium ethanolate; methanesulfonyl chloride; triethylamine; In ethanol;
DOI:10.1016/0040-4039(90)80080-6

Reference yield:

: 4-(3-Trifluoromethyl-3H-diazirin-3-yl)-benzaldehyde oxime

: 128886-91-9
3-(4-Cyanophenyl)-3-trifluoromethyldiazirine

Guidance literature:: With 1,1,3,3-tetramethylguanidine; methanesulfonyl chloride; triethylamine; Multistep reaction; 1.) THF, 40 deg C, 30 min, 2.) 40 deg C, 2 h;
DOI:10.1016/0040-4039(90)80080-6