1040245-49-5

Basic information

• Product 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
• Synonyms: 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;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.;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
• CAS NO: 1040245-49-5
• Molecular Formula: C37H31F6N3S
• Molecular Weight: 663.72
• Mol File: 1040245-49-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 151-152 °C
• Boiling Point: 697.4±65.0 °C(Predicted)
• Appearance: /
• Density: 1.40±0.1 g/cm3(Predicted)
• PKA: 11.76±0.70(Predicted)
• CAS DataBase Reference: 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 DataBase Reference)
• NIST Chemistry Reference: 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(1040245-49-5)
• EPA Substance Registry System: 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(1040245-49-5)

Safety Data

• Hazardous Substances Data: 1040245-49-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
Used in Chemical Synthesis:
In the chemical synthesis industry, 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 may be utilized as a building block or intermediate in the synthesis of more complex molecules with specific applications in various fields, including materials science, agrochemicals, or specialty chemicals. Its unique structure and functional groups could provide novel pathways for the creation of new compounds with tailored properties.

Upstream product

• 16588-74-2 3,5-ditrifluoromethylisocyanate 
• 23165-29-9 3,5-bistrifluoromethylphenylisothiocyanate 

Relevant articles and documents

Catalytic enantioselective electrophilic α-hydrazination of β-ketoesters using bifunctional organocatalysts

The catalytic enantioselective electrophilic α-hydrazination promoted by chiral bifunctional organocatalysts is described. Treatment of β-ketoesters with azodicarboxylates as electrophilic amination reagents under mild reaction conditions afforded the cor

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The catalytic enantioselective electrophilic α-amination promoted by chiral bifunctional organocatalysts is described. Treatment of α-cyanoketones with azodicarboxylates as electrophilic animation reagents under mild reaction conditions afforded the corresponding a-aminated α-cyanoketones with excellent enantiomeric excesses (87-99%).