4,4'-Bis[(E)-2-methoxystyryl]biphenyl - ≥90%(HPLC) , CAS No.79448-61-6

CAS: 79448-61-6 Cat. No.: B405697 Molecular Weight: 418.54

GRADE & PURITY ≥90%(HPLC)

Synonyms

40470-68-6|4,4'-Bis(2-methoxystyryl)-1,1'-biphenyl|4,4-Bis(2-methoxystyryl)biphenyl|4,4'-Bis(2-methoxystyryl)biphenyl|79448-61-6|S3EQ1ZHS2A|4,4'-Bis[(E)-2-methoxystyryl]biphenyl|CSFC 127|4,4'-Bis((E)-2-methoxystyryl)-1,1'-biphenyl|1-methoxy-2-[(E)-2-[4-[4

Storage

Room temperature

Specifications

Synonyms

40470-68-6 | 4, 4'-Bis(2-methoxystyryl)-1, 1'-biphenyl | 4, 4-Bis(2-methoxystyryl)biphenyl | 4, 4'-Bis(2-methoxystyryl)biphenyl | 79448-61-6 | S3EQ1ZHS2A | 4, 4'-Bis[(E)-2-methoxystyryl]biphenyl | CSFC 127 | 4, 4'-Bis((E)-2-methoxystyryl)-1, 1'-biphenyl | 1-methoxy-2-[(E)-2-[4-[4

Specifications & Purity

≥90%(HPLC)

Storage

Room temperature

Purity

≥90%(HPLC)

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1C=CC2=CC=C(C=C2)C3=CC=C(C=C3)C=CC4=CC=CC=C4OC
• IUPAC Name: 1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
• InChIKey: HZAWHDJKNZWAAR-YHARCJFQSA-N
• INCHI: 1S/C30H26O2/c1-31-29-9-5-3-7-27(29)21-15-23-11-17-25(18-12-23)26-19-13-24(14-20-26)16-22-28-8-4-6-10-30(28)32-2/h3-22H,1-2H3/b21-15+,22-16+
• Isomeric SMILES: COC1=CC=CC=C1/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4OC
• Molecular Weight: 418.54
• Reaxy-Rn: 2178758
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2178758&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Biphenyls and derivatives Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Biphenyl - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Melt Point(°C): 218 °C
• Molecular Weight: 418.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 418.193 Da
• Monoisotopic Mass: 418.193 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 528.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

References

1. Chengjiang Zhang, Xialin Luo, Tianfu Wei, Yufei Hu, Gongke Li, Zhuomin Zhang.  (2017)  Acylhydrazone bond dynamic covalent polymer gel monolithic column online coupling to high-performance liquid chromatography for analysis of sulfonamides and fluorescent whitening agents in food.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:28890268] [10.1016/j.chroma.2017.09.002]