1-Ethynyl-4-(phenylethynyl)benzene

Base Information

• Chemical Name: 1-Ethynyl-4-(phenylethynyl)benzene
• CAS No.: 92866-00-7
• Molecular Formula: C16H10
• Molecular Weight: 202.255
• European Community (EC) Number: 805-830-4
• DSSTox Substance ID: DTXSID60460868
• Nikkaji Number: J856.620H
• Wikidata: Q82285029
• Mol file: 92866-00-7.mol

Synonyms:1-ethynyl-4-(phenylethynyl)benzene;92866-00-7;1-ethynyl-4-(2-phenylethynyl)benzene;4-Ethynyldiphenylacetylene;4-(phenylethynyl)phenylacetylene;MFCD27665710;Benzene, 1-ethynyl-4-(phenylethynyl)-;YSWG397;DTXSID60460868;WAUKYPQSFIENDE-UHFFFAOYSA-N;1-Ethynyl-4-phenylethynyl-benzene;AKOS030228731;1-(4-Ethynylphenyl)-2-phenylacetylene;AS-61834;SY056503;CS-0169895;E0967;T73075;A936788

Chemical Property of 1-Ethynyl-4-(phenylethynyl)benzene

Chemical Property:

• Melting Point: 88.0 to 92.0 °C
• Boiling Point: 328.8±25.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 3.06770
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 202.078250319
• Heavy Atom Count: 16
• Complexity: 315

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Ethynyl-4-(phenylethynyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC=C(C=C1)C#CC2=CC=CC=C2

Technology Process of 1-Ethynyl-4-(phenylethynyl)benzene

There total 34 articles about 1-Ethynyl-4-(phenylethynyl)benzene 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: 99.0%

1-(phenylethynyl)-4-[(trimethylsilyl)ethynyl]benzene (147492-76-0) → 4-ethynyltolane (92866-00-7)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

DOI:10.1021/acs.orglett.9b01576

Reference yield: 89.0%

1-(4-(phenylethynyl)phenyl)propyn-3-ol (1209009-43-7) → 4-ethynyltolane (92866-00-7)

Guidance literature:

With manganese(IV) oxide; potassium hydroxide; In diethyl ether;

DOI:10.1021/cm301351j

Reference yield: 82.0%

4-bromo-1-ethynylbenzene (766-96-1) + phenylethynyl diphenylphosphine oxide (7608-18-6) → 4-ethynyltolane (92866-00-7)

Guidance literature:

phenylethynyl diphenylphosphine oxide; With potassium tert-butylate; tributyltin methoxide; In tetrahydrofuran; for 4.5h; Inert atmosphere; Reflux;

4-bromo-1-ethynylbenzene; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; In tetrahydrofuran; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.3184/174751918X15258743466204

upstream raw materials:

4-(3-hydroxy-3-methyl-1-butynyl)-1-iodobenzene

phenylacetylene

1-(phenylethynyl)-4-[(trimethylsilyl)ethynyl]benzene

4-(phenylethinyl)acetophenone

Downstream raw materials:

Bis-(4-phenylethinyl-phenyl)-diacetylen

1,4-Bis-(4-phenylethinyl-phenylethinyl)-cyclohexadien-(2,5)-diol-(1,4)

diethyl 4-<4-(phenylethynyl)phenylethynyl>-2,6-pyridinedicarboxylate

4-<4-(phenylethynyl)phenylethynyl>-2,6-bispyridine