(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate
(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate (CAS: 903571-02-8) is a complex organic salt with the molecular formula C21H22ClN3O · H2O. This compound is primarily utilised as a chiral catalyst and reagent in asymmetric synthesis and general chemical synthesis, contributing to the development of enantiomerically pure molecules. Its specific stereochemistry makes it valuable in stereoselective reactions.
- IUPAC
- Bode Catalyst 2
- Synonyms
- 4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate, 903571-02-8 (anhydrous), C21H22ClN3O · H2O
![(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate (C21H22ClN3O · H2O) — chemical structure, CAS 10bS)-5a; Chemistry, fine chemical supplied by Tech Serve Solutions](/_next/image?url=https%3A%2F%2Fpub-f4d920c906024441a773a96f7098e551.r2.dev%2Fimages%2Fproducts%2F10bS)-5a.png&w=3840&q=75)
Asymmetric Synthesis
This oxazinium chloride derivative serves as a chiral catalyst, facilitating the enantioselective formation of chiral centres in organic molecules. It is instrumental in producing single enantiomers, crucial for pharmaceuticals and fine chemicals.
Organocatalysis
As an organocatalyst, it enables catalytic transformations without the need for metal-based catalysts. This property is advantageous in green chemistry and for synthesising compounds where metal contamination is a concern.
Chemical Synthesis
The compound acts as a valuable building block or reagent in complex organic synthesis pathways. Its unique structural features allow for specific reactivity in various synthetic methodologies.
| Empirical formula | C21H22ClN3O · H2O |
|---|---|
| Assay | 97% |
| Optical activity | [α]20/D +158°, c = 1 in chloroform |
| Melting point | 226-230 °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 |
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 (5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b]-1,2,4-triazolo[4,3-d]-1,4-oxazinium chloride monohydrate used for?
+
This compound is primarily used as a chiral catalyst and reagent in asymmetric synthesis and general chemical synthesis. It is valuable for stereoselective reactions in organic chemistry.
What is the CAS number and formula for this compound?
+
The CAS number for the anhydrous form is 903571-02-8. The empirical formula for the monohydrate is C21H22ClN3O · H2O.
What grade and purity does Tech Serve Solutions supply?
+
Tech Serve Solutions supplies this chemical with an assay of 97%. It is supplied as a research-grade chemical and TSS does not represent it as USP, BP, EP, or other pharmacopoeia grades.
What are the safety and handling precautions for this chemical?
+
This compound is a Warning substance. It can cause 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 worn. Ensure adequate ventilation.
Is this chemical available for export?
+
Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, pharmaceutical intermediates, and laboratory reagents.
How can I request a sample or quote?
+
To request a sample or a quotation, please contact our sales team through the website or by phone. Please provide the product name and CAS number for efficient processing.
▶ Related products
1-(2-Fluorobenzyl)piperazine
C11H15FN2
Chemical Synthesis
1-(2-Fluorophenyl)biguanide hydrochloride
Chemical Synthesis
1-(2-Fluorophenyl)cyclopropanecarboxylic acid
C10H9FO2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine
C10H13FN2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine monohydrochloride
C10H13FN2 · HCl
Chemical Synthesis
1-(2-Furoyl)-1H-benzotriazole
C11H7N3O2
Chemical Synthesis
1-(2-Furoyl)piperazine
C9H12N2O2
Chemical Synthesis
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
Chemical Synthesis
▶ Explore more
3-Methyl-1,5-di-p-tolyl-1,4-pentazadiene
Chemical Synthesis
3-Methyl-1,5-pentanediol
Chemical Synthesis
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
C11H13N3
Chemical Synthesis
3-Methyl-1-(3′-sulfoamidophenyl)-5-pyrazolone
C10H11N3O3S
Chemical Synthesis