4-(Trifluoromethyl)cyclohexanamine

Base Information

• Chemical Name: 4-(Trifluoromethyl)cyclohexanamine
• CAS No.: 58665-70-6
• Molecular Formula: C7H12F3N
• Molecular Weight: 167.174
• Hs Code.: 2921300090
• European Community (EC) Number: 809-290-0,833-847-7,834-492-0
• DSSTox Substance ID: DTXSID30974205,DTXSID201274050
• Nikkaji Number: J3.114.119B,J3.114.123K
• Mol file: 58665-70-6.mol

Synonyms:58665-70-6;4-(trifluoromethyl)cyclohexanamine;1073266-02-0;4-(Trifluoromethyl)cyclohexylamine;4-(trifluoromethyl)cyclohexan-1-amine;trans-4-(Trifluoromethyl)cyclohexanamine;1073266-01-9;TRANS-4-TRIFLUOROMETHYL-CYCLOHEXYLAMINE;(1s,4s)-4-(trifluoromethyl)cyclohexan-1-amine;cis-4-(Trifluoromethyl)cyclohexylamine;C7H12F3N;rel-((1R,4R)-4-(Trifluoromethyl)cyclohexanamine);cis-4-(trifluoromethyl)cyclohexan-1-amine;trans-4-(Trifluoromethyl)cyclohexylamine;MFCD09040573;(1r,4r)-4-(trifluoromethyl)cyclohexan-1-amine;4-Trifluoromethylcyclohexylamine;4-Trifluoromethyl-cyclohexylamine;ACRIDINEHYDROCHLORIDE;SCHEMBL670902;SCHEMBL670903;SCHEMBL3133240;SCHEMBL9947085;SCHEMBL12037460;DTXSID30974205;4-trifluoromethyl cyclohexyl amine;MHDKEOYEQQTLEE-IZLXSQMJSA-N;YCBWLMWEQURJHX-IZLXSQMJSA-N;YCBWLMWEQURJHX-UHFFFAOYSA-N;DTXSID201274050;AMY34901;YSB26601;YSB26602;MFCD18914322;MFCD19686543;AKOS000141604;AKOS026728669;AKOS026730408;cis-4-(Trifluoromethyl)cyclohexanamine;trans-4-trifluoromethyl cyclohexylamine;PB32700;SB30480;BS-13417;BS-44204;CS-15890;(1R,4R)-4-(trifluoromethyl)cyclohexanamine;CS-0051130;T3613;T3726;T3727;EN300-27291;EN300-82703;EN300-82705;4-(Trifluoromethyl)cyclohexylamine, AldrichCPR;P10680;T71576;A847577;J-516025;F8881-8970;Z238878260;4-(trifluoromethyl)cyclohexan-1-amine(cis- and trans- mixture)

Chemical Property of 4-(Trifluoromethyl)cyclohexanamine

Chemical Property:

• Refractive Index: 1.4040 to 1.4080
• Boiling Point: 145.123 °C at 760 mmHg
• PKA: 10.29±0.70(Predicted)
• Flash Point: 51.986 °C
• PSA: 26.02000
• Density: 1.136 g/cm³
• LogP: 2.76650
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 167.09218387
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Trifluoromethyl)cyclohexylamine (cis- and trans- mixture) >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(F)(F)F)N
• Uses: 4-(Trifluoromethyl)cyclohexan-1-amine is used as a reactant in the preparation of 1H-benzimidazole-5-carboxamides as therapeutic inhibitors of enzymes belonging to the MAPEG family.

Technology Process of 4-(Trifluoromethyl)cyclohexanamine

There total 1 articles about 4-(Trifluoromethyl)cyclohexanamine 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:

→ 4-(trifluoromethyl)cyclohexan-1-amine (58665-70-6)

Guidance literature:

4-Trifluormethylanilin, NaOMe, Ru/Al, H2, Autoklav;

Reference yield: 99.0%

4-(trifluoromethyl)cyclohexan-1-amine (58665-70-6) + C10H11F3N2O4 (1400916-91-7) → C17H21F6N3O3 (1400916-95-1)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

DOI:10.1016/j.tet.2012.07.069

Reference yield: 92.0%

4-(trifluoromethyl)cyclohexan-1-amine (58665-70-6) + C14H15N3O4 (1400917-23-8) → C21H25F3N4O3 (1400917-24-9)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 70 ℃;

DOI:10.1016/j.tet.2012.07.069

Downstream raw materials:

C₂₂H₂₃F₉N₄O₂

C₂₂H₂₂F₉N₅O₃

C₁₇H₂₁F₆N₃O₃

C₁₇H₂₂F₆N₄O₃