m-Ethynylstyrene

Base Information

• Chemical Name: m-Ethynylstyrene
• CAS No.: 114292-48-7
• Molecular Formula: C10H8
• Molecular Weight: 128.174
• DSSTox Substance ID: DTXSID90449489
• Nikkaji Number: J1.606.110G
• Wikidata: Q82268971
• Mol file: 114292-48-7.mol

Synonyms:m-Ethynylstyrene;114292-48-7;3-Ethynylstyrene;1-ETHENYL-3-ETHYNYLBENZENE;Benzene, 1-ethenyl-3-ethynyl- (9CI);DTXSID90449489;EN300-1832053

Chemical Property of m-Ethynylstyrene

Chemical Property:

• PSA: 0.00000
• LogP: 2.31090
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 128.062600255
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of m-Ethynylstyrene

There total 1 articles about m-Ethynylstyrene 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: 61.0%

dimethyl 1-diazo-2-oxopropylphosphonate + 3-ethynylbenzaldehyde (77123-56-9) → 1-ethynyl-3-vinylbenzene (114292-48-7)

Guidance literature:

With potassium carbonate; In methanol; for 4h; Inert atmosphere;

DOI:10.1039/b901953g

Reference yield: 48.0%

1-ethynyl-3-vinylbenzene (114292-48-7) + bis(pinacol)diborane (73183-34-3) → (E)-4,4,5,5-tetramethyl-2-(3-vinylstyryl)-1,3,2-dioxaborolane

Guidance literature:

With copper(l) iodide; N-cyclohexyl-cyclohexanamine; In water; at 45 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2017.05.086

Reference yield:

1-ethynyl-3-vinylbenzene (114292-48-7) + benzo[1,3,2]dioxaborole (274-07-7) → HC2C6H4CH2CH2BO2C6H4 (1190762-58-3) + C16H13BO2 (1190762-52-7)

Guidance literature:

With (triphenylphosphine)gold(I) chloride; In ⁽²⁾H₈-toluene; at 100 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1039/b901953g

upstream raw materials:

3-ethynylbenzaldehyde

Downstream raw materials:

HC₂C₆H₄CH₂CH₂BO₂C₆H₄

C₁₆H₁₃BO₂