2,2-Bis[4-(4-maleimidophenoxy)phenyl]propane - ≥97% , CAS No.79922-55-7

CAS: 79922-55-7 Cat. No.: B153086 Molecular Weight: 570.6

GRADE & PURITY ≥97%

Synonyms

2,2-bis[4-(4-maleimido phenoxy)phenyl]propane | 2,2-bis[4-(4-maleimidophenoxy)phenyl]propane | SCHEMBL94891 | 2,2-bis(4-(4-maleimidophenoxy)-phenyl) propane | 1-{4-[4-(2-{4-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]phenyl}propan-2-yl)phenoxy]phenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 2-bis[4-(4-maleimido phenoxy)phenyl]propane | 2, 2-bis[4-(4-maleimidophenoxy)phenyl]propane | SCHEMBL94891 | 2, 2-bis(4-(4-maleimidophenoxy)-phenyl) propane | 1-{4-[4-(2-{4-[4-(2, 5-dioxo-2, 5-dihydro-1H-pyrrol-1-yl)phenoxy]phenyl}propan-2-yl)phenoxy]phenyl

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762454
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762454
• Canonical Smiles: CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C=CC3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N6C(=O)C=CC6=O
• IUPAC Name: 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
• InChIKey: XAZPKEBWNIUCKF-UHFFFAOYSA-N
• INCHI: 1S/C35H26N2O6/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41/h3-22H,1-2H3
• Isomeric SMILES: CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C=CC3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N6C(=O)C=CC6=O
• Molecular Weight: 570.6
• Reaxy-Rn: 10042045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10042045&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Diphenylethers Phenylpyrrolines Diarylethers Phenylpropanes Phenoxy compounds Phenol ethers Maleimides N-substituted carboxylic acid imides Pyrroles Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Diphenylether - Diaryl ether - 1-phenylpyrroline - Phenylpropane - Phenoxy compound - Phenol ether - Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Pyrroline - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: Soluble in Dimethylformamide
• Melt Point(°C): 165 °C
• Molecular Weight: 570.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 570.179 Da
• Monoisotopic Mass: 570.179 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 991.000
• 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. Zhang Qiyan, Xie Qiaohui, Wang Tao, Huang Shuangwu, Zhang Qiming.  (2024)  Scalable all polymer dielectrics with self-assembled nanoscale multiboundary exhibiting superior high temperature capacitive performance.  Nature Communications,  15  (1): (1-9).  [PMID:39472570] [10.1038/s41467-024-53674-8]