1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one - ≥97% , CAS No.473927-69-4

CAS: 473927-69-4 Cat. No.: I303778 Molecular Weight: 384.22 EC Number: 823-230-0

GRADE & PURITY ≥97%

Synonyms

1-(4-Iodophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one | SY030023 | 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one | 1-(4-iodo -phenyl)-3-morpholin-4-yl-5,6-dihydro-1H-pyridin-2-one | AKOS015951076 | AS-41493 | 2(1H)-Pyridinone, 5,6-dihydr

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1-(4-Iodophenyl)-3-morpholino-5, 6-dihydropyridin-2(1H)-one | SY030023 | 1-(4-iodophenyl)-5-morpholin-4-yl-2, 3-dihydropyridin-6-one | 1-(4-iodo -phenyl)-3-morpholin-4-yl-5, 6-dihydro-1H-pyridin-2-one | AKOS015951076 | AS-41493 | 2(1H)-Pyridinone, 5, 6-dihydr

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)I
• IUPAC Name: 1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one
• InChIKey: UWWMPOYYIGCWEH-UHFFFAOYSA-N
• INCHI: 1S/C15H17IN2O2/c16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17/h2-6H,1,7-11H2
• Isomeric SMILES: C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)I
• Molecular Weight: 384.22
• Reaxy-Rn: 10564647
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10564647&ln=

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: Iodobenzenes Aryl iodides Hydropyridines Morpholines Tertiary carboxylic acid amides Trialkylamines Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Enamines Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organoiodides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Oxazinane - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Lactam - Dialkyl ether - Enamine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organoiodide - 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

• Sensitivity: Light sensitive
• Flash Point(°C): 246.203°C
• Boil Point(°C): 483.485°C
• Molecular Weight: 384.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 384.033 Da
• Monoisotopic Mass: 384.033 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 385.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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