(2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide
(2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide (CAS 764650-97-7), a chiral thiourea derivative with a molecular weight of 538.83 g/mol, is a key reagent in asymmetric synthesis. Its specific stereochemistry allows for highly selective transformations in organic chemistry, particularly in catalysis for complex molecule construction.
- IUPAC
- (2S)-3,3-Dimethyl-2-[[[[(1R,2R)-2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)cyclohexyl]amino]thioxomethyl]amino]-N,N-bis(2-methylpropyl)butanamide
- Synonyms
- N-bis(2-isobutyl)butanamide,764650-97-7, C32H50N4OS
![(2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide (C32H50N4OS) — chemical structure, CAS 764650-97-7; Chemistry, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F764650-97-7.png&w=3840&q=75)
Catalysis in Acyl-Pictet-Spengler Reactions
This compound serves as an effective chiral catalyst for acyl-Pictet-Spengler reactions. These reactions are crucial for the stereoselective synthesis of tetrahydroisoquinoline derivatives, common structural motifs in natural products and pharmaceuticals.
Catalysis in Acyl-Mannich Reactions
It is also employed as a catalyst in asymmetric acyl-Mannich reactions. This application enables the stereocontrolled formation of carbon-carbon bonds, leading to valuable beta-amino carbonyl compounds.
Asymmetric Synthesis
As a chiral ligand and catalyst, it facilitates a range of asymmetric synthetic transformations, enabling the production of enantiomerically enriched products essential for drug discovery and development.
| Molecular weight | 538.83 |
|---|---|
| Empirical formula | C32H50N4OS |
| Assay | 97% |
| Optical activity | [α]22/D -3°, c = 1 in chloroform |
| Application | Catalyst for acyl-Pictet-Spengler and acyl-Mannich reactions.1,2 |
| Melting point | 143-147 °C |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is (2S)-3,3-Dimethyl-2-[[(1R,2R)-2-(2-methyl-5-phenyl-1-pyrrolyl)cyclohexyl]thioureido]-N,N-bis(2-isobutyl)butanamide used for?
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This compound is primarily used as a chiral catalyst in asymmetric synthesis, specifically for acyl-Pictet-Spengler and acyl-Mannich reactions.
What is the CAS number and molecular formula for this product?
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The CAS number is 764650-97-7, and the empirical formula is C32H50N4OS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this product with a minimum purity of 97%. This is a research grade chemical, and we do not represent it as USP, BP, or EP.
What are the safety considerations for handling this chemical?
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This product is a Warning substance that causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves, should be used. Handle in a well-ventilated area.
Is this product available for export?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals and laboratory reagents.
How can I request a sample or quote?
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Please contact our sales team via the website to request a sample or a quote for this product.
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