1490388-03-8

Basic information

• Product Name: (S)-N-benzyl-2-(3-(3,5-bis(trifluoroMethyl)phenyl)thioureido)-3,3-diMethylbutanaMide
• Synonyms: (S)-N-benzyl-2-(3-(3,5-bis(trifluoroMethyl)phenyl)thioureido)-3,3-diMethylbutanaMide;(2S)-2-[[[[3,5- Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]- 3,3-dimethyl-N-(phenylmethyl)butanamide;(2S)-2-[[[[3,5- Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]- 3,3-dimethyl-N-(phenylmethyl)butanamide,99%e.e.;(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-3,3-dimethyl-N-(phenylmethyl)butanamide, 98%, (99% ee)
• CAS NO: 1490388-03-8
• Molecular Formula: C22H23F6N3OS
• Molecular Weight: 491.4929392
• Mol File: 1490388-03-8.mol

Chemical Properties

• Appearance: /
• Density: 1.320±0.06 g/cm3(Predicted)
• PKA: 11.41±0.70(Predicted)
• CAS DataBase Reference: (S)-N-benzyl-2-(3-(3,5-bis(trifluoroMethyl)phenyl)thioureido)-3,3-diMethylbutanaMide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-N-benzyl-2-(3-(3,5-bis(trifluoroMethyl)phenyl)thioureido)-3,3-diMethylbutanaMide(1490388-03-8)
• EPA Substance Registry System: (S)-N-benzyl-2-(3-(3,5-bis(trifluoroMethyl)phenyl)thioureido)-3,3-diMethylbutanaMide(1490388-03-8)

Safety Data

• Hazardous Substances Data: 1490388-03-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(S)-N-benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-3,3-dimethylbutanamide is used as a potential pharmaceutical compound for its possible biological activities. (S)-N-benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-3,3-dimethylbutanamide's unique structure may allow it to interact with specific biological targets, potentially leading to the development of new drugs or therapies.
Used in Chemical Industry:
In the chemical industry, (S)-N-benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-3,3-dimethylbutanamide may be utilized as a building block or intermediate in the synthesis of other complex molecules. Its unique functional groups could be exploited in various chemical reactions, contributing to the creation of novel compounds with specific applications.

Upstream product

• 23165-29-9 3,5-bistrifluoromethylphenylisothiocyanate 
• 207121-91-3 (S)-N-benzyl 2-amino-3,3-dimethylbutanamide 

Relevant articles and documents

Synergistic Lewis base and anion-binding catalysis for the enantioselective vinylogous addition of deconjugated butenolides to allenoates

An enantioselective vinylogous umpolung addition of deconjugated butenolides to allenoates has been developed for the first time with the help of synergistic combination of an achiral phosphine and a chiral squaramide, and represents the first example of a catalytic enantioselective Cγ-Cγ bond formation between two different carbonyl partners.

New thiourea organocatalysts and their application for the synthesis of 5-(1H-indol-3-yl)methyl-2,2-dimethyl-1,3-dioxane-4,6-diones a source of chiral 3-indoylmethyl ketenes

The stereoselective properties of modified thiourea organocatalysts were tested in the Friedel–Crafts alkylation of indole with 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones, which produces chiral 5-((1H-indol-3-yl)(aryl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-diones. Based on a tentative reaction mechanism for ((S)-N-benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide organocatalysts, modifications were applied in four selected regions. Systematic structure-stereoselectivity relationship study allowed designing the best efficient organocatalyst for the investigated Friedel–Crafts alkylation of indole with 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones.