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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

Quality Level

100

Assay

96%

form

solid

mp

99-103 °C

functional group

carboxylic acid
fluoro

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

661902-BULK:
661902-VAR:
661902-2G:
661902-500MG:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCG6374
MKCG6369
MKBP7003V
MKBK2951V
MKBB8536V

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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)
Jen, W. S. et al
Journal of the American Chemical Society, 122, 9874-9874 (2000)

Articles

Macmillan Imidazolidinone Organocatalysts

In collaboration with Materia, Inc., we are pleased to offer six imidazolidinone OrganoCatalysts™.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

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