(2R,5R)-(+)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone - ≥96% , CAS No.877303-84-9

CAS: 877303-84-9 Cat. No.: R468212 Molecular Weight: 270.33 EC Number: 693-804-1 PubChem CID: 16218215

GRADE & PURITY ≥96%

Synonyms

E74834 | IQIMPHPFMHVWBZ-UKRRQHHQSA-N | (2R,5R)-5-benzyl-3-methyl-2-(5-methyl-2-furyl)imidazolidin-4-one | AKOS040767762 | (2R,5R)-(+)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone | DTXSID30584823 | (2R,5R)-5-benzyl-3-methyl-2-(5-methylfuran-2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

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

Specifications

Synonyms

E74834 | IQIMPHPFMHVWBZ-UKRRQHHQSA-N | (2R, 5R)-5-benzyl-3-methyl-2-(5-methyl-2-furyl)imidazolidin-4-one | AKOS040767762 | (2R, 5R)-(+)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone | DTXSID30584823 | (2R, 5R)-5-benzyl-3-methyl-2-(5-methylfuran-2-

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504768327
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768327
• Canonical Smiles: CC1=CC=C(O1)C2NC(C(=O)N2C)CC3=CC=CC=C3
• IUPAC Name: (2R,5R)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one
• InChIKey: IQIMPHPFMHVWBZ-UKRRQHHQSA-N
• 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-/m1/s1
• Isomeric SMILES: CC1=CC=C(O1)[C@@H]2N[C@@H](C(=O)N2C)CC3=CC=CC=C3
• WGK Germany: 3
• PubChem CID: 16218215
• Molecular Weight: 270.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Imidazolidinones Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Furans Lactams Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Furan - Imidazolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: n20/D 1.5598
• Molecular Weight: 270.330 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 270.137 Da
• Monoisotopic Mass: 270.137 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1