1,3-Cyclopentadiene, 5-ethyl

Base Information

• Chemical Name: 1,3-Cyclopentadiene, 5-ethyl
• CAS No.: 22516-13-8
• Molecular Formula: C₇H₁₀
• Molecular Weight: 94.1564
• European Community (EC) Number: 630-731-6
• Nikkaji Number: J910.010E
• Mol file: 22516-13-8.mol

Synonyms:1,3-Cyclopentadiene, 5-ethyl;5-ETHYL-CYCLOPENTA-1,3-DIENE;CLRIMWMVEVYXAK-UHFFFAOYSA-N;22516-13-8

Chemical Property of 1,3-Cyclopentadiene, 5-ethyl

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 94.078250319
• Heavy Atom Count: 7
• Complexity: 86.6

Purity/Quality:

99%, ^*data from raw suppliers

5-ETHYL-CYCLOPENTA-1,3-DIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1C=CC=C1

Technology Process of 1,3-Cyclopentadiene, 5-ethyl

There total 4 articles about 1,3-Cyclopentadiene, 5-ethyl 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: 82.6%

ethyl bromide (74-96-4) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → 5-ethylcyclopentadiene (22516-13-8)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In water; at 20 ℃; for 6h; Reagent/catalyst;

Reference yield: 80.4%

cyclopentadienyl magnesium chloride (34766-85-3,11112-17-7) + ethyl iodide (75-03-6) → 5-ethylcyclopentadiene (22516-13-8)

Guidance literature:

In tetrahydrofuran; at 30 - 40 ℃;

Reference yield:

dicarbonyl(η(1)-cyclopentadienyl)(η(5)-cyclopentadienyl)iron + triethyl phosphite (122-52-1) → (η5-cyclopentadienyl)Fe(CO)(P(OEt)3)(PO(OEt)2) (77307-41-6) + 5-ethylcyclopentadiene (22516-13-8)

Guidance literature:

In benzene; under Ar; not isolated, detected by NMR;

upstream raw materials:

ethyl bromide

cyclopenta-1,3-diene

triethyl phosphite

cyclopentadienyl magnesium chloride

Downstream raw materials:

η(5)-ethylcyclopentadienylcobalt-η(4)-tetraphenylbutadiene

bis(η⁵-ethylcyclopentadienyl)ruthenium

bis(η⁵-methylcyclopentadienyl)ruthenium

1-methyl-1'-ethylruthenocene