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Home Amines 620960-26-1
620960-26-1,MFCD09834839
Catalog No.:AA00ECME

620960-26-1 | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$59.00   $41.00
- +
1g
95%
in stock  
$88.00   $62.00
- +
5g
96%
in stock  
$275.00   $192.00
- +
10g
96%
in stock  
$548.00   $383.00
- +
25g
96%
in stock  
$1,367.00   $957.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ECME
Chemical Name:
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea
CAS Number:
620960-26-1
Molecular Formula:
C17H21F6N3S
Molecular Weight:
413.4242
MDL Number:
MFCD09834839
SMILES:
S=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[C@@H]1CCCC[C@H]1N(C)C
Properties
Computed Properties
 
Complexity:
486  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
4.7  

Downstream Synthesis Route

[1]Berkessel,Albrecht;Mukherjee,Santanu;Mueller,ThomasN.;Cleemann,Felix;Roland,Katrin;Brandenburg,Marc;Neudoerfl,Joerg-M.;Lex,Johann[OrganicandBiomolecularChemistry,2006,vol.4,#23,p.4319-4330]

[2]Okino,Tomotaka;Hoashi,Yasutaka;Furukawa,Tomihiro;Xu,Xuenong;Takemoto,Yoshiji[JournaloftheAmericanChemicalSociety,2005,vol.127,#1,p.119-125]

[3]Schleicher,KristinD.;Jamison,TimothyF.[BeilsteinJournalofOrganicChemistry,2013,vol.9,p.1533-1550]

[4]Okino,Tomotaka;Hoashi,Yasutaka;Takemoto,Yoshiji[JournaloftheAmericanChemicalSociety,2003,vol.125,#42,p.12672-12673]

[5]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED-EP1640361,2006,A2Locationinpatent:Page/Pagecolumn12-13

[6]CurrentPatentAssignee:SUMITOMOCHEMICALCOMPANYLIMITED;SumitomoChemical(w/oDongwooFine-Chem);KYOTOUNIVERSITY-US2006/194986,2006,A1Locationinpatent:Page/Pagecolumn7

[7]Blom,Jakob;Vidal-Albalat,Andreu;Jørgensen,Julie;Barløse,CasperL.;Jessen,KamillaS.;Iversen,MarcV.;Jørgensen,KarlAnker[AngewandteChemie-InternationalEdition,2017,vol.56,#39,p.11831-11835][Angew.Chem.,2017,vol.129,p.11993-11997,5]

75-15-0    67198-21-4    328-74-5   
1-3,5-bis(trifluoromethyl)phenyl-3-(1S,2S)-2-(dimethylamino)cyclohexylthiourea 
 
1-{3,5-bis(trifluoromethyl)phenyl}-3-{(1R,2R)-2-(dimethylamino)cyclohexyl}thiourea 

[1]JournalofOrganicChemistry,2009,vol.74,p.5562-5567

860994-58-7   
CASUnavailable 
  620960-26-1 

[1]Amarasinghe,NilupaR.;Todd,MatthewH.;Turner,Peter[Advancedsynthesisandcatalysis,2012,vol.354,#16,p.2954-2958,5]

[2]Locationinpatent:experimentalpartBerkessel;Seelig[Synthesis,2009,#12,p.2113-2115]

CASUnavailable 
 
CASUnavailable 
  620960-26-1    2933217-19-5 

[1]CurrentPatentAssignee:ENANTAPHARMACEUTICALSINC-US2023/174531,2023,A1

[1]Yilmaz,Ozgur;Emmert,MarionH.[JournalofOrganicChemistry,2023,vol.88,#13,p.8874-8881]

Literature
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SDS
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Tags:620960-26-1 Molecular Formula|620960-26-1 MDL|620960-26-1 SMILES|620960-26-1 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea