N-(tert-Butoxycarbonyloxy)phthalimide - ≥95% , CAS No.15263-20-4

CAS: 15263-20-4 Cat. No.: N159792 Molecular Weight: 263.25

GRADE & PURITY ≥95%

Synonyms

AS-67563 | EINECS 239-308-7 | tert-Butyl (1,3-dioxoisoindolin-2-yl) carbonate | Carbonic Acid tert-Butyl Phthalimido Ester | FT-0637206 | tert-butyl 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl carbonate | tert-Butyl N-(1,3-dihydro-1,3-dioxoisoindolyl) carbonat

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-67563 | EINECS 239-308-7 | tert-Butyl (1, 3-dioxoisoindolin-2-yl) carbonate | Carbonic Acid tert-Butyl Phthalimido Ester | FT-0637206 | tert-butyl 1, 3-dioxo-2, 3-dihydro-1H-isoindol-2-yl carbonate | tert-Butyl N-(1, 3-dihydro-1, 3-dioxoisoindolyl) carbonat

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186287
• Canonical Smiles: CC(C)(C)OC(=O)ON1C(=O)C2=CC=CC=C2C1=O
• IUPAC Name: tert-butyl (1,3-dioxoisoindol-2-yl) carbonate
• InChIKey: MCWXBNWFVFOQAS-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO5/c1-13(2,3)18-12(17)19-14-10(15)8-6-4-5-7-9(8)11(14)16/h4-7H,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)ON1C(=O)C2=CC=CC=C2C1=O
• WGK Germany: 3
• Molecular Weight: 263.25
• Reaxy-Rn: 1539964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1539964&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: Isoindoles Benzenoids Organic carbonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

• Molecular Weight: 263.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.079 Da
• Monoisotopic Mass: 263.079 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 388.000
• 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