Description

(2S,5S)-(-)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone (CAS No. 415678-40-9) is a high-purity chiral imidazolidinone derivative with a molecular formula of C₁₆H₁₈N₂O₂. This compound features a stereochemically defined (2S,5S) configuration, making it a valuable intermediate in asymmetric synthesis and pharmaceutical research. The presence of both benzyl and 5-methylfuran substituents enhances its utility in organocatalysis and medicinal chemistry applications. With a molecular weight of 270.33 g/mol, this compound is supplied as a fine powder or crystalline solid, ensuring consistent performance in research settings. Ideal for use in enantioselective transformations, it is rigorously tested for purity (>98% by HPLC) and stored under controlled conditions to maintain stability.

Properties

• CAS Number: 415678-40-9
• Complexity: 354
• IUPAC Name: (2S,5S)-5-benzyl-3-methyl-2-(5-methyl-2-furyl)imidazolidin-4-one
• InChI: 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
• Exact Mass: 270.136827821
• Molecular Formula: C16H18N2O2
• Molecular Weight: 270.33
• SMILES: CC1=CC=C(O1)[C@H]2N[C@H](C(=O)N2C)CC3=CC=CC=C3
• Topological: 45.5
• Monoisotopic Mass: 270.136827821
• Synonyms: 415678-40-9, (2S,5S)-(-)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone, 623-815-9, (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one, 4-Imidazolidinone,3-methyl-2-(5-methyl-2-furanyl)-5-(phenylmethyl)-, (2S,5S)-, SCHEMBL2150474, IQIMPHPFMHVWBZ-ZFWWWQNUSA-N, MFCD08457653, BS-52972, FB151207, DB-362005, C80093, (2S, 5S)-5-Benzyl-3-methyl-2-(5-methyl-furan-2-yl)-imidazolidin-4-one, (2S,5S)-5-BENZYL-3-METHYL-2-(5-METHYL-2-FURYL)-4-IMIDAZOLIDINONE, (2S,5S)-(-)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone, 95%

Application

This chiral imidazolidinone derivative is widely employed as a key building block in the synthesis of enantiomerically pure pharmaceuticals and agrochemicals. Its rigid structure and stereochemical control make it valuable for asymmetric catalysis, particularly in the development of novel ligands and organocatalysts. Researchers also utilize it in the study of enzyme-mimetic reactions and peptidomimetic drug design.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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