trans,trans-1,4-Diphenyl-1,3-butadiene - ≥99%(GC) , CAS No.886-65-7

CAS: 886-65-7 Cat. No.: T162453 Molecular Weight: 206.29 Beilstein Registry Number: 5676 EC Number: 212-952-6 PubChem CID: 641683

GRADE & PURITY ≥99%(GC)

Synonyms

1,3-BUTADIENE, 1,4-DIPHENYL-, TRANS-TRANS- | A,A-Bistyryl | DTXSID3022459 | STR04475 | (1E,3E)-1,4-Diphenyl-1,3-butadiene | PD179202 | trans,4-Diphenyl-1,3-butadiene | 1,4-Diphenyl-1,3-butadiene, (1E,3E)- | Z57214903 | (4-phenyl-1,3-butadienyl)benzene | [

Storage

Room temperature

Shipped In

Normal

Overview

Application：
trans,trans-1,4-Diphenyl-1,3-butadiene can be used as a reactant to synthesize:
2,5-diphenylthiophene by oxidation reaction with potassium sulfide and DMSO.
2-[(3E)-4-Phenyl-2-(phenylmethyl)-3-buten-1-yl]furan via nickel catalyzed hydrobenzylation reaction with furfural in the presence of N2H4.

It can also be used as a ligand to prepare silver(I) coordination polymers by reacting with silver(I) salts.

Specifications

Synonyms

1, 3-BUTADIENE, 1, 4-DIPHENYL-, TRANS-TRANS- | A, A-Bistyryl | DTXSID3022459 | STR04475 | (1E, 3E)-1, 4-Diphenyl-1, 3-butadiene | PD179202 | trans, 4-Diphenyl-1, 3-butadiene | 1, 4-Diphenyl-1, 3-butadiene, (1E, 3E)- | Z57214903 | (4-phenyl-1, 3-butadienyl)benzene | [

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488190931
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190931
• Canonical Smiles: C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2
• IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
• InChIKey: JFLKFZNIIQFQBS-FNCQTZNRSA-N
• INCHI: 1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2
• Alternate CAS: 538-81-8
• PubChem CID: 641683
• Molecular Weight: 206.29
• Beilstein: 5676
• Reaxy-Rn: 1905937

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: styrenes

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)

MAOB Tclin Amine oxidase [flavin-containing] B (2 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in hot Methanol almost transparency
• Boil Point(°C): 350 °C
• Melt Point(°C): 150-154°C
• Molecular Weight: 206.280 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 206.11 Da
• Monoisotopic Mass: 206.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 198.000
• 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. Xinwei Zhang, Xiaotian Zhang, Rong Wang, Yijia Zhong, Kunting Li, Lei Xu, Huimin Feng.  (2023)  Constructing S-scheme PDPB/Ag–TiO2 heterojunctions with a powerful internal electric field for facilitating photocatalytic hydrogen evolution.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2023.10.164]

2. Yisheng Hu, Xiaotian Zhang, Xinyan Zhang, Huimin Feng, Lei Xu.  (2022)  In situ strategy to construct Z-scheme poly(diphenylbutadiene)/TiO2 heterojunctions with enhanced visible light photocatalytic performance.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2022.123085]