1-Methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Base Information

• Chemical Name: 1-Methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
• CAS No.: 926907-00-8
• Molecular Formula: C₁₃H₁₄F₃N
• Molecular Weight: 241.256
• DSSTox Substance ID: DTXSID60698104
• Mol file: 926907-00-8.mol

Synonyms:1-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-3-AZABICYCLO[3.1.0]HEXANE;926907-00-8;SCHEMBL2895515;DTXSID60698104

Chemical Property of 1-Methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Chemical Property:

• PSA: 12.03000
• LogP: 3.28520
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.10783394
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

1-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]-3-AZABICYCLO[3.1.0]HEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC1(CNC2)C3=CC=C(C=C3)C(F)(F)F

Technology Process of 1-Methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

There total 3 articles about 1-Methyl-5-[4-(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: 100.0%

(1S,5S/1R,5R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (926907-00-8) → (1R,5R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (1138419-90-5,926907-00-8) + (1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (1138419-91-6,926907-00-8)

Guidance literature:

In ethanol; hexane; Product distribution / selectivity; Resolution of racemate;

Reference yield: 100.0%

(1S,5S/1R,5R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (926907-00-8) → (1R,5R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (1138419-90-5,926907-00-8) + (1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (1138419-91-6,926907-00-8)

Guidance literature:

In ethanol; hexane; Product distribution / selectivity; Resolution of racemate;

Reference yield: 72.4%

(1S,5S/1R,5R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione → (1S,5S/1R,5R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane (926907-00-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 ℃; for 7h; Heating / reflux;