N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea

Base Information

• Chemical Name: N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea
• CAS No.: 1040245-49-5
• Molecular Formula: C37H31F6N3S
• Molecular Weight: 663.72
• Mol file: 1040245-49-5.mol

Synonyms:1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexyl)thiourea;N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea;Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2- [(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4- yl]cyclohexyl]thiourea,99%d.e.;N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thiourea, 98%, (99% ee)

Chemical Property of N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea

Chemical Property:

• Melting Point: 151-152 °C
• Boiling Point: 697.4±65.0 °C(Predicted)
• PKA: 11.76±0.70(Predicted)
• PSA: 66.43000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 10.86030

Purity/Quality:

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]thiourea, 98%, (99% ee) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea

There total 6 articles about N-[3,5-bis(trifluoroMethyl)phenyl-N'-[(1S,2S)-2-(11bR)3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]-thiourea 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: 92.0%

C28H28N2 + 3,5-bistrifluoromethylphenylisothiocyanate (23165-29-9) → C37H31F6N3S (1040245-49-5,1984862-45-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1021/jo800774m

Reference yield: 91.0%

C28H28N2 + 3,5-bistrifluoromethylphenylisothiocyanate (23165-29-9) → C37H31F6N3S (1040245-49-5,1984862-45-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jo800774m

Reference yield: 83.0%

N-(1S,2S)-2-{(R)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl}cyclohexanediamine + 3,5-ditrifluoromethylisocyanate (16588-74-2) → C37H31F6N3S (1040245-49-5,1984862-45-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1021/jo900880t

upstream raw materials:

3,5-bistrifluoromethylphenylisothiocyanate

3,5-ditrifluoromethylisocyanate