1,2-Diphenylbutane

Base Information

• Chemical Name: 1,2-Diphenylbutane
• CAS No.: 5223-59-6
• Molecular Formula: C16H18
• Molecular Weight: 210.319
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90871120
• Nikkaji Number: J355.060E
• Mol file: 5223-59-6.mol

Synonyms:1,2-Diphenylbutane;5223-59-6;Benzene, 1,1'-(1-ethyl-1,2-ethanediyl)bis-;alpha-Ethylbibenzyl;Bibenzyl, .alpha.-ethyl-;DTXSID90871120

Chemical Property of 1,2-Diphenylbutane

Chemical Property:

• Melting Point: 29.48°C (estimate)
• Refractive Index: 1.5554
• Boiling Point: 304.85°C (estimate)
• PSA: 0.00000
• Density: 0.9673 (estimate)
• LogP: 4.42290
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 210.140850574
• Heavy Atom Count: 16
• Complexity: 173

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 1,2-Diphenylbutane

There total 20 articles about 1,2-Diphenylbutane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

1,2-diphenyl-nitrobutane (936854-02-3) → 1,2-diphenylbutane (5223-59-6)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; at 70 ℃; under 750.075 Torr;

DOI:10.1002/anie.200604263

Reference yield: 88.0%

carbon monoxide (201230-82-2) + stilbene (588-59-0) → 1,2-diphenylbutane (5223-59-6) + 2,3-diphenyl-1-propanol (3536-29-6)

Guidance literature:

With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); dicarbonylacetylacetonatorhodium(I); tris[(R)-2’-(benzyloxy)-1,1’-binaphthyl-2-yl]phosphite; hydrogen; In toluene; at 120 ℃; for 20h; under 30003 Torr; Autoclave;

DOI:10.1002/cssc.201800488

Reference yield: 23.0%

1,2-diphenyl-2-butanol (4426-62-4) → 1,2-diphenylbutane (5223-59-6)

Guidance literature:

With hydrogenchloride; iodine; acetic acid; zinc;

upstream raw materials:

1,2-diphenyl-2-butanol

but-1-ene-1,2-diyldibenzene

styrene

ethyl bromide

Refernces

• 1、 Bauer, Gerald,Cheung, Chi Wai,Hu, Xile. "Cross-coupling of nonactivated primary and secondary alkyl halides with aryl Grignard reagents catalyzed by chiral iron pincer complexes". . p. 1726 - 1732. Retrieved 2015/06/16.
• 2、 Fessard, Thomas C.,Motoyoshi, Hajime,Carreira, Erick M.. "Pd-catalyzed cleavage of benzylic nitro bonds: New opportunities for asymmetric synthesis". . p. 2078 - 2081. Retrieved 2008/02/13.