3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione

Base Information

• Chemical Name: 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione
• CAS No.: 1211565-07-9
• Molecular Formula: C20H21F6N3O2
• Molecular Weight: 449.396
• Mol file: 1211565-07-9.mol

Synonyms:3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione;3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2- (dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2- dione

Chemical Property of 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione

Chemical Property:

• Melting Point: 196-198 °C (decomp)(Solv: isopropanol (67-63-0); water (7732-18-5))
• Boiling Point: 434.5±55.0 °C(Predicted)
• PKA: 10.01±0.70(Predicted)
• PSA: 61.44000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 4.42580

Purity/Quality:

98% ^*data from raw suppliers

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-3-cyclobutene-1,2-dione, 98%, (99% ee) (99% ee) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-dione

There total 3 articles about 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]--Cyclobutene-1,2-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: 60.0%

(1R,2R)-N,N-dimethylcyclohexane-1,2-diamine (320778-92-5) + 3,4-dimethoxy-3-cyclobutene-1,2-dione (5222-73-1) + 3,5-Bis-(trifluoromethyl)aniline (328-74-5) → 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(dimethylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione (1211565-07-9)

Guidance literature:

3,4-dimethoxy-3-cyclobutene-1,2-dione; 3,5-Bis-(trifluoromethyl)aniline; In methanol; at 20 ℃; for 74h;

(1R,2R)-N,N-dimethylcyclohexane-1,2-diamine; In methanol; for 3h;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + C18H17F6N3O2 → 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(dimethylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione (1211565-07-9)

Guidance literature:

formaldehyd; C₁₈H₁₇F₆N₃O₂; With formic acid; In methanol; water; at 20 ℃; for 12h; Reflux; Inert atmosphere;

With sodium hydroxide; In methanol; water; pH=12; Inert atmosphere;

DOI:10.1021/ol1005104

Reference yield:

3-(3,5-ditrifluoromethylphenylamino)-4-methoxybutane-3-en-1,2-dione (1223105-85-8) + (1R,2R)-N,N-dimethylcyclohexane-1,2-diamine (320778-92-5) → 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(dimethylamino)cyclohexyl)amino)cyclobut-3-ene-1,2-dione (1211565-07-9)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1055/s-0035-1560645

upstream raw materials:

formaldehyd

3-(3,5-ditrifluoromethylphenylamino)-4-methoxybutane-3-en-1,2-dione

(1R,2R)-N,N-dimethylcyclohexane-1,2-diamine

3,4-dimethoxy-3-cyclobutene-1,2-dione

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