1,4-Diphenylbutadiyne

Base Information

Chemical Name:1,4-Diphenylbutadiyne
CAS No.:886-66-8
Molecular Formula:C16H10
Molecular Weight:202.255
Hs Code.:29029090
European Community (EC) Number:212-953-1
NSC Number:529170
UNII:84WV7G15RN
DSSTox Substance ID:DTXSID8061264
Nikkaji Number:J7.157I
Wikipedia:Diphenylbutadiyne
Wikidata:Q27122665
Metabolomics Workbench ID:57795
Mol file:886-66-8.mol

Synonyms:1,4-diphenylbutadiyne;1,4-diphenylbutadiyne, ion (1+);1,4-DPB

Suppliers and Price of 1,4-Diphenylbutadiyne

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1,4-Diphenylbutadiyne
250mg
$ 45.00

TCI Chemical
1,4-Diphenylbutadiyne >98.0%(GC)
25g
$ 386.00

TCI Chemical
1,4-Diphenylbutadiyne >98.0%(GC)
5g
$ 127.00

Sigma-Aldrich
1,4-Diphenylbutadiyne 99%
1g
$ 55.60

GFS CHEMICALS
1,4-DIPHENYLBUTADIYNE,98%
10 G
$ 463.19

Frontier Specialty Chemicals
1,4-Diphenylbutadiyne 98%
1g
$ 41.00

Frontier Specialty Chemicals
1,4-Diphenylbutadiyne 98%
5g
$ 165.00

Crysdot
1,4-Diphenylbuta-1,3-diyne 97%
100g
$ 699.00

Biosynth Carbosynth
1,4-Diphenylbutadiyne
10 g
$ 125.00

Biosynth Carbosynth
1,4-Diphenylbutadiyne
5 g
$ 75.00

Total 41 raw suppliers

Chemical Property of 1,4-Diphenylbutadiyne

Chemical Property:

Vapor Pressure:0.000196mmHg at 25°C
Melting Point:86-87 °C(lit.)
Refractive Index:1.5000 (estimate)
Boiling Point:210 °C / 3mmHg
Flash Point:150.5°C
PSA：0.00000
Density:1.1g/cm³
LogP:3.08980
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:Sparingly soluble in water(5.5E-4 g/L) (25°C). Soluble in toluene almost transparency.
XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:202.078250319
Heavy Atom Count:16
Complexity:289

Purity/Quality:

97% ^*data from raw suppliers

1,4-Diphenylbutadiyne ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Aromatic Hydrocarbons
Canonical SMILES:C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2
General Description 1,4-Diphenylbutadiyne is a compound that can form as a dicobalt hexacarbonyl complex decomposition product from 1-chloro-2-phenylacetylene, suggesting its role in organometallic chemistry and potential utility in synthetic transformations such as the Pauson-Khand reaction. It is also known by various synonyms, including diphenyldiacetylene and 1,4-diphenyl-1,3-butadiyne, and has been assigned the NSC number 529170. 1,4-DIPHENYLBUTADIYNE's structure, featuring two phenyl groups connected by a butadiyne linker, makes it relevant in the context of bioconjugation strategies like the Glaser-Hay coupling, as well as in palladium-catalyzed coupling reactions for synthesizing symmetrical N-aryl dialkynylimines.

Technology Process of 1,4-Diphenylbutadiyne

There total 827 articles about 1,4-Diphenylbutadiyne 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: 100.0%

: 591-51-5
phenyllithium

: diphenyl(phenylethynyl)selenium trifluoromethanesulfonate

: 886-66-8
1,4-diphenyl-1,3-butadiyne

: 1132-39-4
diphenylselenide

: 10271-65-5
2-(phenylethynyl)-1,1'-biphenyl

: 536-74-3
phenylacetylene

Guidance literature:: In tetrahydrofuran; diethyl ether; cyclohexane; at 20 ℃; for 3h; Further byproducts given;
DOI:10.1016/S0040-4020(99)01090-X

Reference yield: 92.0%

: 6165-68-0
thiophene boronic acid

: 536-74-3
phenylacetylene

: 188290-36-0,8014-23-1,25233-34-5
thiophene

: 4805-17-8
2-(phenylethynyl)thiophene

: 886-66-8
1,4-diphenyl-1,3-butadiyne

: 492-97-7
2,2'-Bithiophene

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; potassium fluoride; [Pd^II₂(μ-OH₂)₂(NH₃)₄]_0.5[Pd^II₈(μ-OH₂)₈(NH₃)₈(1,2-di(pyridin-4-yl)ethyne)₄]_0.125{Ni^II₄[Cu^II₂(N,N'-2,4,6-trimethyl-1,3-phenylenebis(oxamate))₂]₃}·43H₂O; p-benzoquinone; In ethyl acetate; at 60 ℃; for 14h; Reagent/catalyst; Catalytic behavior;
DOI:10.1021/jacs.9b03914 DOI:10.1021/jacs.9b03914

Reference yield: 90.0%

: 201230-82-2
carbon monoxide

: 26076-80-2
diisobutyl(phenylethynyl)aluminum

: 74-88-4
methyl iodide

: 886-66-8
1,4-diphenyl-1,3-butadiyne

: 1817-57-8
4-phenyl-3-butyne-2-one

Guidance literature:: dichloro bis(acetonitrile) palladium(II); In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at 50 ℃; for 1h; Product distribution;