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661902

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

Name: (<I>S</I>)-(+)-2-(<I>tert</I>-Butyl)-3-methyl-4-imidazolidinone trifluoroacetic acid
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24884554

UNSPSC Code:

12352005

MDL number:

MFCD08443793

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Properties

Quality Segment

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

Description

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

GHS07

signalword

Warning

hcodes

H302,H319

pcodes

P264 - P270 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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