668540

(2S,5S)-(–)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone

95%

• Synonym(s): (2S,5S)-3-Methyl-2-(5-methyl-2-furanyl)-5-(phenylmethyl)-4-imidazolidinone
• Empirical Formula (Hill Notation): C₁₆H₁₈N₂O₂
• CAS Number: 415678-40-9
• Molecular Weight: 270.33
• MDL number: MFCD08457653
• UNSPSC Code: 12352005
• PubChem Substance ID: 24884991
• NACRES: NA.22

Properties

• assay: 95%
• refractive index: n20/D 1.5598
• SMILES string: CN1[C@H](N[C@@H](Cc2ccccc2)C1=O)c3ccc(C)o3
• InChI: 1S/C16H18N2O2/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12/h3-9,13,15,17H,10H2,1-2H3/t13-,15-/m0/s1
• InChI key: IQIMPHPFMHVWBZ-ZFWWWQNUSA-N

Description

Application

Catalyst for:

• Enantioselective organocatalytic transfer hydrogenation of cycloalkenones with tert-Bu Hantzsch ester as source of hydrogen
• Alkylation of indoles with an α,β-disubstituted α,β-unsaturated aldehyde in the enantioselective preparation of a selective serotonin reuptake inhibitor
• MacMillan reaction

Highly selective organocatalyst for the Diels-Alder reaction with simple α,β−unsaturated ketones.

Legal Information

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

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301,H315,H319,H335
• pcodes: P261 - P264 - P271 - P301 + P310 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F
• flash_point_c: > 110 °C
• ppe: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges