1,3-Divinylbenzene

Base Information

• Chemical Name: 1,3-Divinylbenzene
• CAS No.: 108-57-6
• Molecular Formula: C10H10
• Molecular Weight: 130.189
• Hs Code.: 2902909090
• European Community (EC) Number: 273-493-5,203-595-7
• UNII: 4S46QL2WFU
• DSSTox Substance ID: DTXSID30110020
• Nikkaji Number: J43.441H
• Wikidata: Q1983124
• Mol file: 108-57-6.mol

Synonyms:1,3-diethenylbenzene;1,3-divinylbenzene

Chemical Property of 1,3-Divinylbenzene

Chemical Property:

• Vapor Pressure: 0.266mmHg at 25°C
• Melting Point: -66.9°C
• Refractive Index: 1.596
• Boiling Point: 211.3°Cat760mmHg
• Flash Point: 74.6°C
• PSA: 0.00000
• Density: 0.921g/cm³
• LogP: 2.97260
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 130.078250319
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

1,3-Divinylbenzene(StabilizedwithTBC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: C=CC1=CC(=CC=C1)C=C

Technology Process of 1,3-Divinylbenzene

There total 25 articles about 1,3-Divinylbenzene 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: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (1,3-phenylenebis(methylene))bis(triphenylphosphonium) dibromide (10273-74-2) → 1,3-divinylbenzene (108-57-6)

Guidance literature:

With lithium ethoxide; In ethanol; for 2h; Ambient temperature;

DOI:10.1002/prac.19823240627

Reference yield: 94.0%

tetravinylsilane (1112-55-6) + 1,3-Diiodobenzene (626-00-6) → 1,3-divinylbenzene (108-57-6)

Guidance literature:

With potassium fluoride; Pd (1 wt%)/C; In N,N-dimethyl-formamide; at 130 ℃; for 2.5h; under 1500.15 Torr; Reagent/catalyst; Time; Inert atmosphere;

DOI:10.1016/j.jcat.2013.02.019

Reference yield: 85.0%

m-Divinylbenzene monoepoxide (105430-20-4) → 1,3-divinylbenzene (108-57-6)

Guidance literature:

With carbon monoxide; In water; at 27 ℃; for 16h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/chem.201001387

upstream raw materials:

Isophthalaldehyde

malonic acid

m-diethylbenzene

ortho-diethylbenzene

Downstream raw materials:

m-bis(α,β-dibromoethyl)benzene

3-ethenylbenzaldehyde

Isophthalaldehyde

C₂₀H₂₀

Refernces

• 1、 Xiao, Jing,Li, Qiang,Shen, Ruwei,Shimada, Shigeru,Han, Li-Biao. "Phosphonium Phenolate Zwitterion vs Phosphonium Ylide: Synthesis, Characterization and Reactivity Study of a Trimethylphosphonium Phenolate Zwitterion". supporting information. p. 5715 - 5720. Retrieved 2019/11/22.
• 2、 Straathof, Natan J. W.,Cramer, Sten E.,Hessel, Volker,No?l, Timothy. "Practical Photocatalytic Trifluoromethylation and Hydrotrifluoromethylation of Styrenes in Batch and Flow". supporting information. p. 15549 - 15553. Retrieved 2016/12/09.