Benzene, ethenyl-, trimer

Base Information

• Chemical Name: Benzene, ethenyl-, trimer
• CAS No.: 28213-80-1
• Deprecated CAS: 1401716-44-6
• Molecular Formula: C8H10
• Molecular Weight: 106.17
• European Community (EC) Number: 208-645-1
• NSC Number: 4957
• UNII: 239WSR2IBO
• DSSTox Substance ID: DTXSID1060211
• Nikkaji Number: J24.280B,J2.700.985I
• Wikipedia: Phenylacetylene
• Wikidata: Q417321
• ChEMBL ID: CHEMBL234833
• Mol file: 28213-80-1.mol

Synonyms:Benzene, ethenyl-, trimer;STYRENE TRIMERS;

Chemical Property of Benzene, ethenyl-, trimer

Chemical Property:

• Boiling Point: 136.2°Cat760mmHg
• Flash Point: 25.9°C
• Density: 0.868g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 102.0469501914
• Heavy Atom Count: 8
• Complexity: 98.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: C#CC1=CC=CC=C1

Technology Process of Benzene, ethenyl-, trimer

There total 1815 articles about Benzene, ethenyl-, trimer 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%

3-phenyl-propenal (104-55-2) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6)

Guidance literature:

With palladium doped Hydrotalcite; In ethanol; at 150 ℃; for 2h; Microwave irradiation;

DOI:10.1002/cssc.201901934

Reference yield: 98.0%

1-Phenylethanol (98-85-1,13323-81-4) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6)

Guidance literature:

With C₂₁H₂₉ClIrN₄O₂⁽¹⁺⁾*CF₃O₃S^(1-); In 1,2-dichloro-benzene; at 150 ℃; for 4h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.jorganchem.2020.121290

Reference yield: 98.0%

benzaldehyde (100-52-7) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6)

Guidance literature:

With MoO₂Cl₂+(CH₃)3Al; In tetrahydrofuran; at -70 - 20 ℃; for 18h; Product distribution; further aldehydes and ketones, temperatures, various carbonyl-methylenating organomolybdenum aluminium and organotungsten aluminium complexes; also with Tebbe reagent;

upstream raw materials:

oxirane

ethylbenzene

1-butylbenzene

pyridine

Downstream raw materials:

2-methyl-1-phenethyl-aziridine

3-phenyl-4,5-dihydro-1H-pyrazole

[2-(phenylsulfanyl)ethyl]benzene

(1S*,2R*)-2-phenylcyclopropane-1-carboxylic acid

Refernces

• 1、 Bai, Lu,Li, Linqiang,Liu, Mengtian,Luan, Xinjun,Wu, Jiaoyu. "Selective C(sp3)?N Bond Cleavage of N,N-Dialkyl Tertiary Amines with the Loss of a Large Alkyl Group via an SN1 Pathway". supporting information. . Retrieved 2021/12/01.
• 2、 Matsuyama, Takehiro,Yatabe, Takafumi,Yabe, Tomohiro,Yamaguchi, Kazuya. "Heterogeneously Catalyzed Selective Decarbonylation of Aldehydes by CeO2-Supported Highly Dispersed Non-Electron-Rich Ni(0) Nanospecies". . p. 13745 - 13751. Retrieved 2021/11/17.