Benzene, (1-ethyl-1-propenyl)-

Base Information

• Chemical Name: Benzene, (1-ethyl-1-propenyl)-
• CAS No.: 4165-86-0
• Molecular Formula: C11H14
• Molecular Weight: 146.232
• DSSTox Substance ID: DTXSID701340759
• Nikkaji Number: J1.553.718C
• Mol file: 4165-86-0.mol

Synonyms:Benzene, (1-ethyl-1-propenyl)-;3-Phenyl-2-pentene;3-Phenyl-3-pentene;4165-86-0;2-pentene, 3-phenyl-;(1-ETHYL-1-PROPENYL)BENZENE (TRANS);1-Ethyl-1-propenyl]benzen;WSZVSPSKVZOVQE-UHFFFAOYSA-N;WSZVSPSKVZOVQE-XCVCLJGOSA-N;DTXSID701340759;[(E)-1-Ethyl-1-propenyl]benzene;AKOS006272085;(2E)-PENT-2-EN-3-YLBENZENE;Benzene, (1-ethyl-1-propenyl)-, trans

Chemical Property of Benzene, (1-ethyl-1-propenyl)-

Chemical Property:

• Vapor Pressure: 0.385mmHg at 25°C
• Boiling Point: 204°Cat760mmHg
• Flash Point: 69.7°C
• Density: 0.876g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC)C1=CC=CC=C1
• Isomeric SMILES: CC/C(=C\C)/C1=CC=CC=C1

Technology Process of Benzene, (1-ethyl-1-propenyl)-

There total 24 articles about Benzene, (1-ethyl-1-propenyl)- 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: 69.0%

1-propenylbenzene (873-66-5) + ethene (74-85-1) → (Z)-(1-ethylpropenyl)benzene (4165-78-0) + (E)-(1-ethylpropenyl)benzene (4165-86-0)

Guidance literature:

With silver trifluoromethanesulfonate; triphenylphosphine; bi(allylnickel bromide); In dichloromethane; at 0 ℃;

DOI:10.1021/jo035171b

Reference yield: 57.0%

phenylmagnesium chloride (100-59-4) + 3-diphenoxyphosphoryloxypent-2-ene (87437-00-1) → (E)-(1-ethylpropenyl)benzene (4165-86-0)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; iron(III)-acetylacetonate; In tetrahydrofuran; at -20 - 50 ℃;

DOI:10.1002/anie.201703340

Reference yield: 50.0%

(2S,3R)-3-Phenyl-2-trimethylsilanyl-pentan-3-ol (118226-84-9) → (E)-(1-ethylpropenyl)benzene (4165-86-0)

Guidance literature:

With potassium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/jo00265a028

upstream raw materials:

benzoic acid methyl ester

ethylenetriphenylphosphorane

methyllithium

2-phenyl-1-(trimethylsilyl)-1-butene oxide

Downstream raw materials:

d,l-Isopinocamphenol

(2R,3S)-3-phenyl-2-pentanol

(2S,3R)-(-)-threo-3-phenyl-2-pentanol

4-tert-butyl-2-(3-phenylpent-3-yl)phenol