661902

(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
• 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

Properties

• 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

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.

Safety Information

• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves