3-Ethylcyclopentene

Base Information

• Chemical Name: 3-Ethylcyclopentene
• CAS No.: 694-35-9
• Molecular Formula: C7H12
• Molecular Weight: 96.1723
• Hs Code.: 2902199090
• European Community (EC) Number: 211-770-4
• NSC Number: 74128
• DSSTox Substance ID: DTXSID10870756
• Nikkaji Number: J102.036F
• Mol file: 694-35-9.mol

Synonyms:3-Ethylcyclopentene;3-Ethyl-1-cyclopentene;694-35-9;Cyclopentene, 3-ethyl-;EINECS 211-770-4;NSC74128;3-Ethylcyclopentene-1;3-ethylcyclopent-1-ene;DTXSID10870756;SODIUML-GLUTAMATEMONOHYDRATE;MFCD00039455;NSC 74128;NSC-74128;AKOS024399255;FT-0632823

Chemical Property of 3-Ethylcyclopentene

Chemical Property:

• Vapor Pressure: 47.1mmHg at 25°C
• Melting Point: -108.93°C (estimate)
• Refractive Index: 1.447
• Boiling Point: 97.8 °C at 760 mmHg
• PSA: 0.00000
• Density: 0.804 g/cm³
• LogP: 2.36260
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 96.093900383
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

3-Ethyl-1-cyclopentene 98% ^*data from reagent suppliers

Safty Information:

• Statements: 11
• Safety Statements: 9-16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC=C1

Technology Process of 3-Ethylcyclopentene

There total 13 articles about 3-Ethylcyclopentene 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: 28.3%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + cyclopentene (142-29-0) → 3-ethylcyclopentene (694-35-9)

Guidance literature:

With [(trimethylsilyl)methyl]potassium; at -20 ℃; for 1h; Mechanism; Product distribution;

Reference yield:

1-methylcyclohex-1-ene (591-49-1) → 3-ethylcyclopentene (694-35-9)

Guidance literature:

With aluminum oxide; at 470 - 480 ℃;

DOI:10.1557/mrs2001.160

Reference yield:

ethylmagnesium chloride (2386-64-3) + 2-cyclopenten-1-yl chloride (96-40-2) → 3-ethylcyclopentene (694-35-9)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01224a002

upstream raw materials:

1-methylcyclohex-1-ene

ethylmagnesium chloride

2-cyclopenten-1-yl chloride

tetrahydrofuran

Downstream raw materials:

hydrido(η-ethylcyclopentadienyl)bis(triphenylphosphine)iridium(III) hexafluoroantimonate

3-Ethyl-cyclopentylbromid

Refernces

• 1、 Sustmann, Reiner,Dern, Heinz-Juergen. "Investigation of Rearrangement Reactions of Cyclic Allyl and Pentadienyl Anions". . p. 2958 - 2971. Retrieved 2007/10/02.