N-Phthaloyl-L-glutamic Anhydride - ≥98% , CAS No.25830-77-7

CAS: 25830-77-7 Cat. No.: N158909 Molecular Weight: 259.22 EC Number: 607-813-5

GRADE & PURITY ≥98%

Synonyms

AKOS027320960 | Q27295774 | Glutaric anhydride, 2-phthalimido-, L-(-)- | UNII-ZN6U9B52ER | J-016144 | (S)-2-(2,6-Dioxotetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione | 2-[(3S)-2,6-dioxooxan-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione | N-Phthalylglutamic anhy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS027320960 | Q27295774 | Glutaric anhydride, 2-phthalimido-, L-(-)- | UNII-ZN6U9B52ER | J-016144 | (S)-2-(2, 6-Dioxotetrahydro-2H-pyran-3-yl)isoindoline-1, 3-dione | 2-[(3S)-2, 6-dioxooxan-3-yl]-2, 3-dihydro-1H-isoindole-1, 3-dione | N-Phthalylglutamic anhy

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766751
• Canonical Smiles: C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: 2-[(3S)-2,6-dioxooxan-3-yl]isoindole-1,3-dione
• InChIKey: ICDLEMPZXFCQEB-VIFPVBQESA-N
• INCHI: 1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2/t9-/m0/s1
• Isomeric SMILES: C1CC(=O)OC(=O)[C@H]1N2C(=O)C3=CC=CC=C3C2=O
• Molecular Weight: 259.22
• Reaxy-Rn: 90174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=90174&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Delta valerolactones Oxanes N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Carboxylic acid imide, n-substituted - Benzenoid - Oxane - Carboxylic acid anhydride - Carboxylic acid imide - Lactone - Azacycle - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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: Moisture sensitive
• Specific Rotation[α]: -43° (C=3,Dioxane)
• Melt Point(°C): 205 °C
• Molecular Weight: 259.209 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 259.048 Da
• Monoisotopic Mass: 259.048 Da
• Topological Polar Surface Area: 80.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 448.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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