1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Base Information

Chemical Name:1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No.:66504-78-7
Molecular Formula:C12H8F3NO2
Molecular Weight:255.196
Hs Code.:
DSSTox Substance ID:DTXSID001167510

Synonyms:66504-78-7;DTXSID001167510;1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Suppliers and Price of 1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:255.05071298
Heavy Atom Count:18
Complexity:420

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C1(C(=O)NC2=O)C3=CC(=CC=C3)C(F)(F)F

Technology Process of 1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

There total 5 articles about 1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione 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: 73.0%

: 77053-78-2
(1R,2S)-1-(3-Trifluoromethyl-phenyl)-cyclopropane-1,2-dicarboxylic acid

: 66504-78-7
1-(m-Trifluormethylphenyl)-1,2-cyclopropandicarboximid

Guidance literature:: With urea; In xylene; Heating;
DOI:10.1021/jm00137a002

Reference yield:

: 331-33-9
ethyl 3-trifluoromethylphenylacetate

: 66504-78-7
1-(m-Trifluormethylphenyl)-1,2-cyclopropandicarboximid

Guidance literature:: Multi-step reaction with 4 steps

1: 83 percent / NBS, 48percent aq. HBr / CCl₄ / Heating

2: 50 percent / NaOEt / diethyl ether / 24 h / Ambient temperature

3: 60 percent / KOH / ethanol; H₂O / 6 h / Heating

4: 73 percent / urea / xylene / Heating

With potassium hydroxide; N-Bromosuccinimide; hydrogen bromide; sodium ethanolate; urea; In tetrachloromethane; diethyl ether; ethanol; water; xylene;
DOI:10.1021/jm00137a002

Reference yield:

: 41023-25-0
ethyl α-bromo-(3-trifluoromethylphenyl)acetate

: 66504-78-7
1-(m-Trifluormethylphenyl)-1,2-cyclopropandicarboximid

Guidance literature:: Multi-step reaction with 3 steps

1: 50 percent / NaOEt / diethyl ether / 24 h / Ambient temperature

2: 60 percent / KOH / ethanol; H₂O / 6 h / Heating

3: 73 percent / urea / xylene / Heating

With potassium hydroxide; sodium ethanolate; urea; In diethyl ether; ethanol; water; xylene;
DOI:10.1021/jm00137a002