2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone

Base Information

Chemical Name:2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone
CAS No.:112092-00-9
Molecular Formula:C₉H₁₂F₃NO₃
Molecular Weight:239.194
Hs Code.:2914700090
DSSTox Substance ID:DTXSID00549308
Mol file:112092-00-9.mol

Synonyms:112092-00-9;2-(1-TRIFLUOROMETHYL-2-NITROETHYL)CYCLOHEXANONE;2-(1,1,1-Trifluoro-3-nitropropan-2-yl)cyclohexan-1-one;2-(1,1,1-Trifluoro-3-nitropropan-2-yl)cyclohexanone;2-[2,2,2-trifluoro-1-(nitromethyl)ethyl]cyclohexanone;DTXSID00549308;AKOS017345073

Suppliers and Price of 2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone

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

American Custom Chemicals Corporation
2-(1-TRIFLUOROMETHYL-2-NITROETHYL)CYCLOHEXANONE 95.00%
5MG
$ 501.40

Total 3 raw suppliers

Chemical Property of 2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone

Chemical Property:

PSA：62.89000
LogP:2.72410
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:239.07692773
Heavy Atom Count:16
Complexity:285

Purity/Quality:

99%+ ^*data from raw suppliers

2-(1-TRIFLUOROMETHYL-2-NITROETHYL)CYCLOHEXANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=O)C(C1)C(C[N+](=O)[O-])C(F)(F)F

Technology Process of 2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone

There total 4 articles about 2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone 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: 71.0%

: 1-morpholino-5-(2-trifluoromethyl-1-nitroethyl)-1-cyclohexene

: 112092-00-9
2-(2-trifluoromethyl-1-nitropropyl)cyclohexanone

Guidance literature:: With sulfuric acid; for 3h;

Reference yield: 60.0%

: 2981-10-4
1-(cyclohex-1-en-1-yl)piperidine

: 371-96-0,37468-00-1
(E)-3,3,3-trifluoro-1-nitroprop-1-ene

: 112092-00-9
2-(2-trifluoromethyl-1-nitropropyl)cyclohexanone

Guidance literature:: In dichloromethane; at 20 ℃; for 2h;
DOI:10.1016/j.jfluchem.2006.03.017

Reference yield:

: 670-80-4
4-cyclohexen-1-ylmorpholine

: 112092-00-9
2-(2-trifluoromethyl-1-nitropropyl)cyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / benzene / 3 h

2: 71 percent / aq. sulfuric acid / 3 h

With sulfuric acid; In benzene;