1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Base Information

Chemical Name:1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CAS No.:86215-49-8
Molecular Formula:C12H12F3N
Molecular Weight:227.229
Hs Code.:
ChEMBL ID:CHEMBL1195803
DSSTox Substance ID:DTXSID00507968

Synonyms:86215-49-8;1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;1-(3-(TRIFLUOROMETHYL)PHENYL)-3-AZABICYCLO[3.1.0]HEXANE;SCHEMBL2637713;CHEMBL1195803;DTXSID00507968;MB69073

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

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-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:227.09218387
Heavy Atom Count:16
Complexity:289

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C1(CNC2)C3=CC(=CC=C3)C(F)(F)F

Technology Process of 1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

There total 6 articles about 1-[3-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane 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: 47.0%

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

: 86215-49-8
1-(3-trifluoromethylphenyl)-3-azabicyclo[3.1.0]hexane

Guidance literature:: With sodium bis(2-methoxyethoxy)aluminium dihydride; In benzene; for 2h; Heating;
DOI:10.1021/jm00137a002

Reference yield:

: 331-33-9
ethyl 3-trifluoromethylphenylacetate

: 86215-49-8
1-(3-trifluoromethylphenyl)-3-azabicyclo[3.1.0]hexane

Guidance literature:: Multi-step reaction with 5 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

5: 47 percent / sodium bis(2-methoxyethoxy)aluminum hydride / benzene / 2 h / Heating

With potassium hydroxide; N-Bromosuccinimide; hydrogen bromide; sodium ethanolate; sodium bis(2-methoxyethoxy)aluminium dihydride; urea; In tetrachloromethane; diethyl ether; ethanol; water; xylene; benzene;
DOI:10.1021/jm00137a002

Reference yield:

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

: 86215-49-8
1-(3-trifluoromethylphenyl)-3-azabicyclo[3.1.0]hexane

Guidance literature:: Multi-step reaction with 4 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

4: 47 percent / sodium bis(2-methoxyethoxy)aluminum hydride / benzene / 2 h / Heating

With potassium hydroxide; sodium ethanolate; sodium bis(2-methoxyethoxy)aluminium dihydride; urea; In diethyl ether; ethanol; water; xylene; benzene;
DOI:10.1021/jm00137a002