N-(2-Hydroxyethyl)phthalimide - ≥98% , CAS No.3891-07-4

CAS: 3891-07-4 Cat. No.: N158881 Molecular Weight: 191.19 Beilstein Registry Number: 21(3/4)5063 EC Number: 223-434-4

GRADE & PURITY ≥98%

Synonyms

Pyrazole, dimethylphenyl- | InChI=1/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2 | N-(2-Hydroxyethyl)phthalimide | N-(2-hydroxyethyl)-phthalimide | DTXSID1063225 | 2-(2-hydroxyethyl)-1H-isoindole-1,3 (2H)-dione | A925203 | Oprea1_140654

Storage

Room temperature

Shipped In

Normal

Overview

product description：

N-(2-Hydroxyethyl)phthalimide is the precursor for chloromethyl ethers used in the synthesis of purine acyclic nucleosides.

application：

N-(2-Hydroxyethyl)phthalimide is used as a reagent to synthesize (-)-R-rolipram is a phosphodiesterase 4 inhibitor that is used to treat depression. N-(2-Hydroxyethyl)phthalimide is also used as a reagent to synthesize FR252921, a compound that acts as an immunosuppressant. 

Specifications

Synonyms

Pyrazole, dimethylphenyl- | InChI=1/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4, 12H, 5-6H2 | N-(2-Hydroxyethyl)phthalimide | N-(2-hydroxyethyl)-phthalimide | DTXSID1063225 | 2-(2-hydroxyethyl)-1H-isoindole-1, 3 (2H)-dione | A925203 | Oprea1_140654

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185411
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185411
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)N(C2=O)CCO
• IUPAC Name: 2-(2-hydroxyethyl)isoindole-1,3-dione
• InChIKey: MWFLUYFYHANMCM-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCO
• Molecular Weight: 191.19
• Beilstein: 21(3/4)5063
• Reaxy-Rn: 147214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147214&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 N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Alkanolamine - Carboxylic acid derivative - Azacycle - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

• Solubility: Slightly soluble in DMSO, Methanol
• Melt Point(°C): 128.0 to 131.0 °C
• Molecular Weight: 191.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058 Da
• Monoisotopic Mass: 191.058 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• 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

References

1. Tian Congcong, Sun Anxin, Chen Jinling, Zhuang Rongshan, Chen Chen, Zheng Jiawei, Liu Shuo, Du Jiajun, Chen Qianwen, Cai Lei, Han Shulin, Tian Feng, Chen Chun-Chao.  (2026)  Photostable donor–acceptor interface for minimizing energy loss in inverted perovskite solar cells.  Nature Photonics,      [PMID:] [10.1038/s41566-025-01827-6]