1,4-Diphenylbutane

• CAS: 1083-56-3
• Catalog Number: ACM1083563
• Category: Main Products
• Molecular Weight: 210.32
• Molecular Formula: C₁₆H₁₈
• Synonyms: 1,4-DIPHENYL-N-BUTANE;1,4-DIPHENYLBUTANE;(4-Phenylbutyl)benzene;1,1'-(1,4-butanediyl)bisbenzene;benzene,1,1'-(1,4-butanediyl)bis-;Butane, 1,4-diphenyl-;butane,1,4-diphenyl-;1,4-DIPHENYLBUTANE 97%
• IUPAC Name: 4-phenylbutylbenzene
• Canonical SMILES: C1=CC=C(C=C1)CCCCC2=CC=CC=C2
• InChI Key: GLJFYGFBITUZOE-UHFFFAOYSA-N
• Boiling Point: 122-128ºC 2mm
• Melting Point: 52-53ºC
• Flash Point: 151.3ºC
• Density: 0.973g/cm³
• Appearance: White crystals
• Exact Mass: 210.14100
• Safety Description: S24/25

Case Study

1,4-Diphenylbutane Used in the Synthesis of 1-Arylnaphthalenes and 4-Arylcoumarins

Diao H, et al. Helvetica Chimica Acta, 2021, 104(7), e2100056.

Using 1,4-diphenylbutane as a linear substrate, 1-arylnaphthalenes and 4-arylcoumarins can be successfully constructed, by iron-catalyzed intramolecular cross-dehydroarylation (CDA) between benzyl C(sp3)H bonds and aromatic C(sp2)H bonds. In addition, introducing different functional groups into 1,4-diphenylbutane as the substrate can be further used to form a variety of expected products, such as polycyclic aromatic hydrocarbons with significant optoelectronic properties.
General Synthesis Procedures
· To a 25 mL oven-dried Schlenk tube with magnetic stir bar, FeCl3 (2.5 mol%), DDQ (5.0 equiv) was added, then the 1,4-diphenylbutane substrate (0.2 mmol, 1.0 equiv) and 2.0 mL DCE were added to the reaction mixture successively.
· Subsequently the tube was pumped 3 times on the vacuum line with nitrogen. The tube was sealed and stirred at 100 °C for 36 hours. The reaction mixture was cooled to room temperature, diluted with 10 mL DCM, filtered, and rinse with an appropriate amount of DCM. The filtrate was concentrated and purified by flash column chromatography on silica gel.

Custom Q&A

What is the molecular formula of 1,4-Diphenylbutane?

The molecular formula of 1,4-Diphenylbutane is C16H18.

What is the molecular weight of 1,4-Diphenylbutane?

The molecular weight of 1,4-Diphenylbutane is 210.31 g/mol.

What is the IUPAC name of 1,4-Diphenylbutane?

The IUPAC name of 1,4-Diphenylbutane is 4-phenylbutylbenzene.

What is the InChI of 1,4-Diphenylbutane?

The InChI of 1,4-Diphenylbutane is InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.

What is the InChIKey of 1,4-Diphenylbutane?

The InChIKey of 1,4-Diphenylbutane is GLJFYGFBITUZOE-UHFFFAOYSA-N.

What is the canonical SMILES of 1,4-Diphenylbutane?

The canonical SMILES of 1,4-Diphenylbutane is C1=CC=C(C=C1)CCCCC2=CC=CC=C2.

What is the CAS number of 1,4-Diphenylbutane?

The CAS number of 1,4-Diphenylbutane is 1083-56-3.

What is the XLogP3 value of 1,4-Diphenylbutane?

The XLogP3 value of 1,4-Diphenylbutane is 4.

What is the hydrogen bond donor count of 1,4-Diphenylbutane?

The hydrogen bond donor count of 1,4-Diphenylbutane is 0.

What is the hydrogen bond acceptor count of 1,4-Diphenylbutane?

The hydrogen bond acceptor count of 1,4-Diphenylbutane is not provided in the reference.