Cas no 112791-04-5 ((4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one)

(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one is a chiral imidazolidinone derivative with a defined stereochemistry, making it a valuable intermediate in asymmetric synthesis and pharmaceutical research. The (4S,5R) configuration ensures high enantioselectivity, which is critical for applications in catalysis and the development of optically active compounds. Its rigid imidazolidinone core and phenyl substituent contribute to structural stability, while the methyl groups enhance steric control in reactions. This compound is particularly useful in organocatalysis and as a building block for bioactive molecules. Its well-characterized stereochemistry and synthetic versatility make it a preferred choice for researchers requiring precise chiral frameworks.
(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one structure
112791-04-5 structure
Product Name:(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one
CAS No:112791-04-5
MF:C11H14N2O
MW:190.241662502289
CID:129921
PubChem ID:24863723
Update Time:2025-06-08

(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one Chemical and Physical Properties

Names and Identifiers

    • (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one
    • (4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
    • (4S,5R)-(+)-1,5-DIMETHYL-4-PHENYLIMDAZOLIDIN-2-ONE
    • 2-Imidazolidinone,1,5-dimethyl-4-phenyl-, (4S,5R)-
    • (4S 5R)-(+)-1 5-DIMETHYL-4-PHENYL- &
    • (4S 5R)-1 5-DIMETHYL-4-PHENYL-2-IMIDAZOLIDONE
    • (4S,5R)-(+)-1,5-DiMethyl-4-phenyl-2-iMidazolidinone,97%
    • BGPAZBKCZVVZGF-PSASIEDQSA-N
    • (4R, 5S)-3,4-dimethyl-5-phenyl-imidazolidin-2-one
    • (4R,5S)-3,4-dimethyl-5-phenyl-imidazolidin-2-one
    • (4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinone, 97%
    • SCHEMBL2370396
    • J-002837
    • 112791-04-5
    • DTXSID40426129
    • AKOS022180075
    • (4R,5S)-1,5-Dimethyl-4-phenylimidazolidinone
    • MDL： MFCD00066231
    • Inchi： 1S/C11H14N2O/c1-8-10(12-11(14)13(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m1/s1
    • InChI Key： BGPAZBKCZVVZGF-PSASIEDQSA-N
    • SMILES： O=C1N[C@@H](C2C=CC=CC=2)[C@@H](C)N1C

Computed Properties

  • Exact Mass: 190.11100
  • Monoisotopic Mass: 190.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.3
  • Topological Polar Surface Area: 32.3?2

Experimental Properties

  • Color/Form: crystal
  • Density: 1.077
  • Melting Point: 173-176?°C (lit.)
  • Boiling Point: 335.9°Cat760mmHg
  • Flash Point: 156.9°C
  • Refractive Index: 1.532
  • PSA: 32.34000
  • LogP: 2.03790
  • Optical Activity: [α]20/D +45°, c =?1 in methanol
  • Solubility: Not determined

(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： S22-S24/25

(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA03119-1g
(4S,5R)-(+)-1,5-Dimethyl-4-Phenyl-2-Imidazolidinone
 112791-04-5
1g
 ￥1508.0 2021-09-04
A2B Chem LLC
AB55216-250mg
(4S,5R)-(+)-1,5-DIMETHYL-4-PHENYL-2-IMIDAZOLIDINONE
 112791-04-5 97%
250mg
 $70.00 2024-04-20
1PlusChem
1P003CDS-250mg
(4S,5R)-(+)-1,5-DIMETHYL-4-PHENYL-2-IMIDAZOLIDINONE
 112791-04-5 97%
250mg
 $99.00 2023-12-26

(4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one Related Literature

Related Categories

Additional information on (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one

Compound CAS No. 112791-04-5: (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one

The compound with CAS No. 112791-04-5, commonly referred to as (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of imidazolidinones, which are known for their versatile applications in drug design and materials science. The imidazolidinone framework is particularly interesting due to its ability to form stable five-membered rings with nitrogen atoms, making it a valuable structure in medicinal chemistry.

Imidazolidinones are widely studied for their potential as scaffolds in drug development. The (4S,5R)-stereochemistry of this compound adds an extra layer of complexity and specificity, which is crucial in pharmacology where stereochemistry often dictates biological activity. Recent studies have highlighted the importance of stereochemistry in determining the efficacy and selectivity of drug candidates. For instance, researchers have reported that the (4S,5R) configuration enhances the compound's ability to interact with specific biological targets, such as enzymes or receptors.

The phenyl group attached at position 4 of the imidazolidinone ring contributes significantly to the compound's hydrophobicity and aromaticity. This feature is advantageous in drug design as it can improve membrane permeability and bioavailability. Furthermore, the dimethyl groups at positions 1 and 5 provide steric bulk, which can influence the compound's stability and solubility properties. These structural attributes make (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one a promising candidate for further exploration in therapeutic applications.

Recent advancements in synthetic methodologies have enabled the efficient synthesis of this compound. Researchers have developed novel routes using asymmetric catalysis and enantioselective reactions to construct the imidazolidinone core with high enantiomeric excess. These methods not only enhance the yield but also ensure the preservation of stereochemistry during the synthesis process. For example, a study published in *Organic Letters* demonstrated a one-pot synthesis approach that utilized chiral ligands to achieve excellent enantioselectivity.

In terms of applications, (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one has shown potential as a lead compound in anti-inflammatory and anticancer drug discovery programs. Its ability to modulate key signaling pathways involved in inflammation and tumor growth has been validated through in vitro assays. Additionally, this compound has been investigated for its role as a catalyst in organic reactions due to its unique electronic properties.

From an analytical standpoint, modern techniques such as NMR spectroscopy and X-ray crystallography have been employed to characterize this compound comprehensively. These studies have provided insights into its molecular geometry and intermolecular interactions, which are critical for understanding its behavior in biological systems.

In conclusion, CAS No. 112791-04-5, or (4S,5R)-1,5-Dimethyl-4-phenylimidazolidin-2-one, represents a significant advancement in organic chemistry with promising applications across multiple disciplines. Its unique structure and stereochemical properties make it a valuable tool for researchers aiming to develop innovative therapeutic agents and advanced materials.

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