1,3,5-Trivinylbenzol

Base Information

• Chemical Name: 1,3,5-Trivinylbenzol
• CAS No.: 3048-52-0
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• UNII: XQ64QE66P2
• DSSTox Substance ID: DTXSID10436851
• Nikkaji Number: J798.489H
• Wikidata: Q82252188
• Mol file: 3048-52-0.mol

Synonyms:3048-52-0;1,3,5-trivinylbenzene;Benzene, 1,3,5-triethenyl-;1,3,5-triethenylbenzene;1,3,5-trivinylbenzol;1,2,5-Trivinylbenzene;1,2,5-Triethenylbenzene;Benzene, 1,2,5-triethenyl-;XQ64QE66P2;UNII-XQ64QE66P2;1,3,5-tris(ethenyl)benzene;DTXSID10436851

Chemical Property of 1,3,5-Trivinylbenzol

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 156.093900383
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3,5-Trivinylbenzol

There total 11 articles about 1,3,5-Trivinylbenzol 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: 92.0%

1,3,5-trisbromobenzene (626-39-1) + tri-n-butyl(vinyl)tin (7486-35-3) → 1,3,5-trivinylbenzene (3048-52-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In 1,4-dioxane; at 100 ℃; for 15h;

DOI:10.1002/(SICI)1099-0690(199806)1998:6<1193::AID-EJOC1193>3.0.CO;2-K

Reference yield: 90.0%

1,3,5-trisbromobenzene (626-39-1) + potassium vinyltrifluoroborate → 1,3,5-trivinylbenzene (3048-52-0)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium dichloride; In tetrahydrofuran; water; for 16h; Reflux; Inert atmosphere;

Reference yield: 86.0%

{3-[dibutyl(vinyl)stannyl]propyl}(triphenyl)phosphonium perchlorate + 1,3,5-trisbromobenzene (626-39-1) → 1,3,5-trivinylbenzene (3048-52-0)

Guidance literature:

bis(tri-t-butylphosphine)palladium⁽⁰⁾; In 1,4-dioxane; at 45 ℃; for 20h;

DOI:10.1021/ol701447q

upstream raw materials:

α,α',α''-trimethyl-1,3,5-benzenetrimethanol

1,3,5-trisbromobenzene

tri-n-butyl(vinyl)tin

1,3,5-triacetylbenzene

Downstream raw materials:

1,3,5-Tris(2,2-dichlorcyclopropyl)benzol

1,3,5-Tris(1,2-dibromaethyl)benzol

1,3,5-triacetylbenzene

Refernces

• 1、 -. "NOVEL ANTIBIOTICS". Page/Page column 29. . Retrieved 2018/02/03.
• 2、 -. "SYNTHESIS OF ARYL COMPOUNDS". Paragraph 00150. . Retrieved 2017/03/21.