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  • 693316 - (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

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693316 Sigma-Aldrich

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

97%

Synonym: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

  • CAS Number 959979-30-7

  • Empirical Formula (Hill Notation) C23H25F6N3OS

  • Molecular Weight 505.52

  •  MDL number MFCD10567031

  •  PubChem Substance ID 329761582

  •  NACRES NA.22

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Properties

Related Categories Asymmetric Synthesis, Chemical Synthesis, Chiral Catalysts, Ligands, and Reagents, Jacobsen Thioureas
Quality Level   100
assay   97%
optical activity   [α]20/D -57.0°, c = 1 in chloroform
mp   147-152 °C
SMILES string   CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C
InChI   1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1
InChI key   LTFFYVVCUVYZPE-GOSISDBHSA-N

Description

General description

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea organocatalyst developed by the Jacobsen′s group for asymmetric organic synthesis.

Packaging

100 mg in clear glass bottle

500 mg in amber glass bottle

Application

Versatile catalyst for reactions including the Mannich reaction.

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Related Content

Jacobsen Thioureas in Chemical Synthesis

New Versatile Organocatalysts In 2002, Jacobsen’s group first reported the application of thiourea organocatalyst 1 (693421) in the asymmetric Strecker reaction. Since that initial report, Jacobsen's...
Keywords: Applications, Asymmetric synthesis, Catalysis, Chromatography, Hydrocyanations, Hydrophosphonylations, Mannich Reaction, Organic synthesis, Pictet-Spengler reaction, Strecker synthesis, Type

Peer-Reviewed Papers
15

References

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