Phthalimide - ≥99% , CAS No.85-41-6

CAS: 85-41-6 Cat. No.: P104067 Molecular Weight: 147.13 Beilstein Registry Number: 118522 EC Number: 201-603-3

GRADE & PURITY ≥99%

Synonyms

Phthalimide; Tafenoquine related; SKF-2450 | 1,3-Isoindoledione | isoindole-1,3(2H)-dione | AI3-07565 | folpet TP1 | FS-3820 | Phenylimide | STK299439 | DTXSID3026514 | 3-hydroxyisoindol-1-one | CHEBI:38817 | MFCD00005881 | O-Phthalimide | phtalimide | FT

Storage

Room temperature

Shipped In

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Overview

Phthalimide is a reagent used to transform allyl- and alkyl halides into protected primary amines.
A reagent used to transform allyl- and alkyl halides into protected primary amines

Specifications

Synonyms

Phthalimide; Tafenoquine related; SKF-2450 | 1, 3-Isoindoledione | isoindole-1, 3(2H)-dione | AI3-07565 | folpet TP1 | FS-3820 | Phenylimide | STK299439 | DTXSID3026514 | 3-hydroxyisoindol-1-one | CHEBI:38817 | MFCD00005881 | O-Phthalimide | phtalimide | FT

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751176
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751176
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)NC2=O
• IUPAC Name: isoindole-1,3-dione
• InChIKey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
• INCHI: 1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)NC2=O
• WGK Germany: 1
• RTECS: TI3920000
• Molecular Weight: 147.13
• Beilstein: 118522
• Reaxy-Rn: 118522
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118522&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 N-unsubstituted carboxylic acid imides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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: phthalimides

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

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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SH-SY5Y (11521 Activities)

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Associated Targets(non-human)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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Mus musculus (284745 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (1 mg/ml at 19.5 °C), aqueous alkali hydroxides, acetone (2.5%), and hot methanol.
• Flash Point(°C): 150℃
• Boil Point(°C): 366°C
• Melt Point(°C): 238°C
• Molecular Weight: 147.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.032 Da
• Monoisotopic Mass: 147.032 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 190.000
• 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. Liuqi Kong, Yan Zhu, Shaochen Sun, Hongye Li, Jiarui Wu, Farong Tao, Liping Wang, Guang Li.  (2023)  Tunable multicolor afterglow including white light emission from poly(acrylic acid)-based room temperature phosphorescence materials via phosphorescence FRET.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2023.111242]

2. Fan Ye, Liwei Shen, Shi Liu, Huanyu Liu, Xinyuan Zhang, Zejun Zhang, Ying Yang, Xuening Feng, Yuqi Tang, Dong Xiang, Yuanzhu Mi, Xuemin Yan.  (2022)  Demulsification of amphiphilic gemini ionic liquids and its demulsification mechanism.  CHEMOSPHERE,      [PMID:36181854] [10.1016/j.chemosphere.2022.136650]

3. Xuecheng Zhang, Jun Gao, Qinghua Chu, Haixia Lyu, Zenghong Xie.  (2022)  Specific recognition and determination of trace phthalic acid esters by molecularly imprinted polymer based on metal organic framework.  ANALYTICA CHIMICA ACTA,      [PMID:36089311] [10.1016/j.aca.2022.340292]

4. Ya-Mu Xia, Wen Zhang, Meng-Ying Li, Meng Xia, Li-Jia Zou, Wei-Wei Gao.  (2019)  Effective Electrochemical Determination of Chloramphenicol and Florfenicol Based on Graphene/Copper Phthalocyanine Nanocomposites Modified Glassy Carbon Electrode.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  166  (8): (B654).  [PMID:] [10.1149/2.0801908jes]

5. Zhan Yi-zhen, Zhao Xue, Wang Wei.  (2017)  Synthesis and application of phthalimide disperse dyes.  FIBERS AND POLYMERS,  18  (12): (2278-2286).  [PMID:] [10.1007/s12221-017-7211-y]

6. Yizhen Zhan, Xue Zhao, Wei Wang.  (2017)  Synthesis of phthalimide disperse dyes and study on the interaction energy.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2017.07.013]

7. Yan Xia, Guang Lu Han, Qiu Gen Zhang, Yi Gong, Ian Broadwell, Qing Lin Liu.  (2013)  CuO-filled aminomethylated polysulfone hybrid membranes for deep desulfurization.  JOURNAL OF APPLIED POLYMER SCIENCE,  130  (5): (3718-3725).  [PMID:] [10.1002/app.39647]