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779466

Sigma-Aldrich

3-(2,4,6-Trimethylphenyl)-5,6,7,8-tetrahydro-4H-cycloheptathiazol-3-ium perchlorate

≥95% (HPLC)

Synonym(s):

5,6,7,8-Tetrahydro-3-(2,4,6-trimethylphenyl)-4H-cycloheptathiazolium perchlorate, Isa-Carbene, Isa-NHC

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About This Item

Empirical Formula (Hill Notation):
C17H22ClNO4S
CAS Number:
1062158-63-7
Molecular Weight:
371.88
Beilstein:
19104993
MDL number:
MFCD19443639
UNSPSC Code:
12352005
PubChem Substance ID:
329768039

Assay

≥95% (HPLC)

impurities

8.19-9.05% sulfur content

SMILES string

[O-]Cl(=O)(=O)=O.Cc1cc(C)c(c(C)c1)-[n+]2csc3CCCCCc23

InChI

1S/C17H22NS.ClHO4/c1-12-9-13(2)17(14(3)10-12)18-11-19-16-8-6-4-5-7-15(16)18;2-1(3,4)5/h9-11H,4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1

InChI key

NYWYDMVZQBQLOV-UHFFFAOYSA-M

Application

Catalyst

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCBF2912V
BCBF2912

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Keiichi Hirano et al.
Journal of the American Chemical Society, 131(40), 14190-14191 (2009-10-08)
An intramolecular N-heterocyclic carbene (NHC)-catalyzed hydroacylation of unactivated double bonds is reported. Systematic variation of the catalyst structure revealed an N-mesitylthiazolylidene annulated with a seven-membered ring to be especially reactive. This NHC enables a unique C-C bond-forming reaction to afford
Akkattu T Biju et al.
Journal of the American Chemical Society, 132(17), 5970-5971 (2010-04-14)
The N-heterocyclic carbene (NHC)-catalyzed hydroacylation of unactivated alkynes to provide alpha,beta-unsaturated ketones is reported. In addition, a rare case of an efficient and selective dually NHC-catalyzed cascade reaction involving the hydroacylation of alkynes and a subsequent intermolecular Stetter reaction allows
Raphaël Lebeuf et al.
Organic letters, 10(19), 4243-4246 (2008-09-04)
A large range of benzoins was successfully applied as C-nucleophiles in the palladium-catalyzed allylic alkylation with several allyl acetates, resulting in functionalized tertiary homoallylic alcohols. A number of unsymmetrical benzoins can be coupled with high levels of regio- and chemoselectivity.
Diastereoselective Synthesis of Trifluoromethylated γ-Butyrolactones via N-Heterocyclic Carbene-catalyzed Conjugated Umpolung of a,?-unsaturated Aldehydes.
Hirano, K., et al.
Advanced Synthesis & Catalysis, 350, 984-988 (2008)

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