Phthalimide - ≥99% , CAS No.85-41-6

CAS: 85-41-6 Cat. No.: P104067 Summenformel: C₈H₅NO₂ Molekulargewicht: 147.13 Beilstein Registry Number: 118522 EG-Nummer: 201-603-3

GRADE & PURITY ≥99%

Synonyms

Phthalimid; Tafenoquine related; SKF-2450 | 1,3-Isoindoledione | Isoindole-1,3(2H)-dione | AI3-07565 | folpet TP1 | FS-3820 | Phenylimide | STK299439 | DTXSID3026514 | 3-Hydroxyisoindol-1-on | CHEBI:38817 | MFCD00005881 | O-Phthalimide | phthalimide | FT

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

Phthalimid ist ein Reagens, das zur Umwandlung von Allyl- und Alkylhalogeniden in geschützte primäre Amine verwendet wird.
Ein Reagenz zur Umwandlung von Allyl- und Alkylhalogeniden in geschützte primäre Amine

Specifications

Synonyme

Phthalimid; Tafenoquine related; SKF-2450 | 1,3-Isoindoledione | Isoindole-1,3(2H)-dione | AI3-07565 | folpet TP1 | FS-3820 | Phenylimide | STK299439 | DTXSID3026514 | 3-Hydroxyisoindol-1-on | CHEBI:38817 | MFCD00005881 | O-Phthalimide | phthalimide | FT

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504751176
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751176
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC=C2C(=C1)C(=O)NC2=O
• WGK Deutschland: 1
• RTECS: TI3920000
• Molekulargewicht: 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
    • Klasse Isoindoles and derivatives
      • Subclass Isoindolines
        • Ebene5 Isoindolones
          • Ebene6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

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

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

Discover Target: CES1

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

SH-SY5Y (11521 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

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

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

Mus musculus (284745 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (1 mg/ml at 19.5 °C), aqueous alkali hydroxides, acetone (2.5%), and hot methanol.
• Flammpunkt (°C): 150℃
• Siedepunkt (°C): 366°C
• Schmelzpunkt (°C): 238°C
• Molekulargewicht: 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

Referenzen

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]