N-（2-ヒドロキシエチル）フタルイミド - ≥98% , CAS No.3891-07-4

CAS: 3891-07-4 Cat. No.: N158881 分子式: C₁₀H₉NO₃ 分子量: 191.19 Beilstein Registry Number: 21(3/4)5063 EC番号: 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

ノーマル

概要

製品概要

N-(2-ヒドロキシエチル)フタルイミドは、プリン非環状ヌクレオシドの合成に使用されるクロロメチルエーテルの前駆体である。

用途：N-(2-ヒドロキシエチル)フタルイミド

N-(2-ヒドロキシエチル)フタルイミドは、うつ病の治療に使用されるホスホジエステラーゼ4阻害剤である(-)-R-ロリプラムを合成するための試薬として使用される。N-(2-ヒドロキシエチル)フタルイミドは、免疫抑制剤として作用する化合物であるFR252921を合成するための試薬としても使用される。

Specifications

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

488185411

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185411

カノニカル・スマイル

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

異性体SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCO

分子量

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
    • 分類 Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Slightly soluble in DMSO, Methanol
• 融点（°C）: 128.0 to 131.0 °C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3891-07-4, the molecular formula is C10H9NO3, and the molecular weight is 191.19 g/mol. InChIKey MWFLUYFYHANMCM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.