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661902

Sigma-Aldrich

(S)-(+)-2-(tert-Butyl)-3-methyl-4-imidazolidinone trifluoroacetic acid

96%

Synonym(s):

(S)-(+)-2-(tert-Butyl)-3-methyl-4-oxoimidazolidinium trifluoroacetate, (S)-2-(tert-Butyl)-3-methyl-4-imidazolidinone trifluoroacetic acid salt

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About This Item

Empirical Formula (Hill Notation):
C10H17N2O3F3
CAS Number:
900503-70-0
Molecular Weight:
270.25
MDL number:
MFCD08443793
UNSPSC Code:
12352005
PubChem Substance ID:
24884554
NACRES:
NA.22

Assay

96%

form

solid

mp

99-103 °C

SMILES string

OC(=O)C(F)(F)F.CN1[C@H](NCC1=O)C(C)(C)C

InChI

1S/C8H16N2O.C2HF3O2/c1-8(2,3)7-9-5-6(11)10(7)4;3-2(4,5)1(6)7/h7,9H,5H2,1-4H3;(H,6,7)/t7-;/m0./s1

InChI key

HKHKOEMMPVPVOS-FJXQXJEOSA-N

General description

(S)-(+)-2-(tert-Butyl)-3-methyl-4-imidazolidinone trifluoroacetic acid is a Macmillan imidazolidinone organocatalyst, which is generally employed in asymmetric transformation reactions.

Application

Highly selective organocatalyst for 1,3-dipolar addition and Friedel-Crafts alkylation.

Legal Information

U.S. Pat. 6,369,243 and related patents apply. For research purposes only.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Highly enantioselective transfer hydrogenation of alpha, beta-unsaturated ketones
Martin NJA and List B
Journal of the American Chemical Society, 128(41), 13368-13369 (2006)
Jen, W. S. et al
Journal of the American Chemical Society, 122, 9874-9874 (2000)
Modern strategies in organic catalysis: the advent and development of iminium activation.
Lelais G and MacMillan DWC.
Aldrichimica Acta, 39(3), 79-87 (2006)
New strategies in organic catalysis: the first enantioselective organocatalytic Friedel-Crafts alkylation.
N A Paras et al.
Journal of the American Chemical Society, 123(18), 4370-4371 (2001-07-18)

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