1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione - ≥98% , CAS No.7300-91-6

CAS: 7300-91-6 Cat. No.: H304493 Molecular Weight: 189.17 EC Number: 230-750-6

GRADE & PURITY ≥98%

Synonyms

7300-91-6|1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione|4-maleimidophenol|N-(4-Hydroxyphenyl)maleimide|1-(4-hydroxyphenyl)pyrrole-2,5-dione|1-(4-Hydroxyphenyl)-2,5-dioxo-pyrrole|1-(4-Hydroxyphenyl)maleimide|1-(4-Hydroxy-phenyl)-pyrrole-2,5-dione|1-(4-hydroxyph

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

7300-91-6 | 1-(4-Hydroxyphenyl)-1H-pyrrole-2, 5-dione | 4-maleimidophenol | N-(4-Hydroxyphenyl)maleimide | 1-(4-hydroxyphenyl)pyrrole-2, 5-dione | 1-(4-Hydroxyphenyl)-2, 5-dioxo-pyrrole | 1-(4-Hydroxyphenyl)maleimide | 1-(4-Hydroxy-phenyl)-pyrrole-2, 5-dione | 1-(4-hydroxyph

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755551
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755551
• Canonical Smiles: C1=CC(=CC=C1N2C(=O)C=CC2=O)O
• IUPAC Name: 1-(4-hydroxyphenyl)pyrrole-2,5-dione
• InChIKey: BLLFPKZTBLMEFG-UHFFFAOYSA-N
• INCHI: 1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
• Isomeric SMILES: C1=CC(=CC=C1N2C(=O)C=CC2=O)O
• Molecular Weight: 189.17
• Reaxy-Rn: 139338
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139338&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolines
      • Subclass Phenylpyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolines
• Subclass: Phenylpyrrolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolines
• Alternative Parents: Maleimides 1-hydroxy-2-unsubstituted benzenoids N-substituted carboxylic acid imides Benzene and substituted derivatives Pyrroles Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrroline - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
• 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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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HepG2 (196354 Activities)

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MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Faah Anandamide amidohydrolase (3907 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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Luciferin 4-monooxygenase (66902 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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ddn Putative uncharacterized protein (49 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Large T antigen (1457 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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RPL19A 60S ribosomal protein L19-A (106 Activities)

Discover Target: RPL19A

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HSP90 (947 Activities)

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vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Flash Point(°C): 193.9°C
• Boil Point(°C): 397°C at 760 mmHg
• Melt Point(°C): 181-182°C
• Molecular Weight: 189.170 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.043 Da
• Monoisotopic Mass: 189.043 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 272.000
• 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. Chengsen Li, Yuqing Dong, Xiaomin Yuan, Ye Zhang, Xueping Gao, Bo Zhu, Kun Qiao.  (2023)  Waterborne polyurethane sizing agent with excellent water resistance and thermal stability for improving the interfacial performance of carbon fibers/epoxy resin composites.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132817]

2. Chengsen Li, Yuqing Dong, Xiaomin Yuan, Zhijie Qiu, Ye Zhang, Shuhan Yan, Xueping Gao, Bo Zhu.  (2023)  Two-step method to realize continuous multi-wall carbon nanotube grafted on the fibers to improve the interface of carbon fibers/epoxy resin composites based on the Diels-Alder reaction.  CARBON,      [PMID:] [10.1016/j.carbon.2023.118131]

3. Xingyue You, Peng Wang, Yongke Tan, Yujing Li, Jieqiong Wang, Zixuan Li, Yuhui Ao, Ming Li.  (2024)  Photo-thermal double-crosslinked second-order nonlinear optical materials with high orientation stability.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2024.101971]