1-Ethylcyclopropene

Base Information

• Chemical Name: 1-Ethylcyclopropene
• CAS No.: 34189-00-9
• Molecular Formula: C5H8
• Molecular Weight: 68.1185
• DSSTox Substance ID: DTXSID00595007
• Nikkaji Number: J937.009I
• Wikidata: Q82489939
• Mol file: 34189-00-9.mol

Synonyms:1-ethylcyclopropene;34189-00-9;1-Ethylcycloprop-1-ene;DTXSID00595007

Chemical Property of 1-Ethylcyclopropene

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 60.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC1

Technology Process of 1-Ethylcyclopropene

There total 4 articles about 1-Ethylcyclopropene 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:

1,3-dimethylcyclopropene (82190-83-8) → Z-piperylene (1574-41-0,17410-45-6,25212-15-1,64940-84-7) + 1-methylbuta-1,3-diene (2004-70-8,17410-45-6,25212-15-1,64940-84-7) + 2-Pentyne (627-21-4) + penta-2,3-diene (591-96-8) + penta-1,2-diene (591-95-7) + 1-Ethylcyclopropene (34189-00-9)

Guidance literature:

at 482 ℃; under 50 Torr; other temp.; E_a, lg A;

DOI:10.1002/anie.199703811

Reference yield:

1,3-dimethylcyclopropene (82190-83-8) → Z-piperylene (1574-41-0,17410-45-6,25212-15-1,64940-84-7) + 1-methylbuta-1,3-diene (2004-70-8,17410-45-6,25212-15-1,64940-84-7) + 2-Pentyne (627-21-4) + 1-Ethylcyclopropene (34189-00-9)

Guidance literature:

at 248.4 ℃; under 52 Torr; Further Variations:; Temperatures; reaction time; Kinetics; Thermodynamic data; Activation energy;

DOI:10.1002/1521-3765(20000602)6:11<1963::AID-CHEM1963>3.0.CO;2-L

Reference yield:

ethyl bromide (74-96-4) + cyclopropene (2781-85-3) → 1-Ethylcyclopropene (34189-00-9)

Guidance literature:

Multistep reaction; (i) NaNH₂, liq. NH₃, (ii) /BRN= 1209224/;

upstream raw materials:

ethyl bromide

cyclopropene

ethyl iodide

1,3-dimethylcyclopropene

Downstream raw materials:

Z-piperylene

1-methylbuta-1,3-diene

2-Pentyne

penta-2,3-diene