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

CAS

620960-26-1

Catalog Number

ACM620960261

Category

Other Products

Molecular Weight

413.426g/mol

Molecular Formula

C17H21F6N3S;

MSDS COA Spec Sheet

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Specification

Synonyms

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea, AldrichCPR; AK102107; AJ-108563; CHEMBL3746712; 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-(-)-2-(dimethylamino)cyclohexyl)thiourea (R,R-TUC); 1-[3,5-Di(trifluoromethyl)phenyl]-3-[(1beta)-2alpha-(dimethylamino)cyclohexyl]thiourea; 1-[3,5-bis(trifluoromethy) phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea; ZINC43220842; 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea; SCHEMBL812122;

IUPAC Name

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea;

Canonical SMILES

CN(C)C1CCCCC1NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F;

InChI

InChI=1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m1/s1;

InChI Key

NQRCAVZHOLYEBJ-ZIAGYGMSSA-N;

Application

Thiourea catalyst used in the enantio and diastereoselective Michael addition of malonates and ketoesters to nitroolefins.

Catalyst used in the enantioselective hydrazination of 1,3-dicarbonyl compounds.

Catalyst used for the dynamic resolution of azalactones.

Catalyst used in Michael-Aldol reaction of 2-mercaptobenzaldehyde with α,β-unsaturated oxazolidinone.

Catalyst for enantioselective synthesis of flavanones and chromanones.

Catalyst for the asymmetric Neber Reaction.

Catalyst for the three component synthesis of 2,6-diazabicyclo[2.2.2]octanones.

Complexity

486

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

413.136g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

413.136g/mol

Rotatable Bond Count

Topological Polar Surface Area

59.4A^2

March 7, 2023

Highly active catalyst
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC) can catalyze the efficient asymmetric Michael addition reaction of α -substituted cyanoacetate with vinyl sulfone.

What is the Molecular formula of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

C17H21F6N3S

What is the Molecular weight of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

413.42

What is the EC number of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

811-865-6

What is the InChIKey of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

NQRCAVZHOLYEBJ-ZIAGYGMSSA-N

What is the SMILES of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

CN(C)C1CCCCC1NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

What is the Form of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

Powder, white

What is the Melting point of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

87-88℃

What is the Storage condition of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC))?

Store in a closed, dry environment. 2-8℃

What is the Boiling point of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

380.8±52.0℃

What is the Density of 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea (R,R-TUC)?

1.33±0.1 g/cm3