Ethylcyclobutane

Base Information

• Chemical Name: Ethylcyclobutane
• CAS No.: 4806-61-5
• Molecular Formula: C6H12
• Molecular Weight: 84.1613
• NSC Number: 73917
• UNII: CJX8HY652S
• DSSTox Substance ID: DTXSID5074711
• Nikkaji Number: J102.094C
• Wikidata: Q96107465
• Mol file: 4806-61-5.mol

Synonyms:Ethylcyclobutane;Cyclobutane, ethyl-;1-ethylcyclobutane;4806-61-5;CJX8HY652S;UNII-CJX8HY652S;NSC 73917;NSC-73917;ethyl cyclobutane;NSC73917;DTXSID5074711;AKOS006272392

Chemical Property of Ethylcyclobutane

Chemical Property:

• Vapor Pressure: 139mmHg at 25°C
• Melting Point: -142.75°C
• Refractive Index: 1.425
• Boiling Point: 70.7 °C at 760 mmHg
• PSA: 0.00000
• Density: 0.775 g/cm³
• LogP: 2.19650
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 84.093900383
• Heavy Atom Count: 6
• Complexity: 35.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC1CCC1

Technology Process of Ethylcyclobutane

There total 2 articles about Ethylcyclobutane 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-chloro-1-cyclobutylethane (57762-00-2) → cis-2-hexene (7688-21-3) + trans-2-hexene (4050-45-7) + ethylcyclobutane (4806-61-5)

Guidance literature:

With tri-n-butyl-tin hydride; In decalin; at 60.2 ℃; for 24h; Product distribution; The ratio of hydrogen atom transfer rate vs the rate of ring opening.;

Reference yield:

acetamide (60-35-5) + 1,1,1-tri(bromomethyl)propane (6974-30-7) → 2-ethyl-1-butene (760-21-4) + ethylcyclobutane (4806-61-5) + vinylcyclobutane (2597-49-1) + ethylidenecyclobutane (1528-21-8)

Guidance literature:

at 110 ℃; Produkt 5: 1-Methyl-1-aethyl-cyclopropan;

Reference yield:

ethylcyclobutane (4806-61-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-Methylpentane (107-83-5) + methyl-cyclopentane (96-37-7) + cyclohexane (110-82-7,25012-93-5)

Guidance literature:

DOI:10.1021/ja01106a007

upstream raw materials:

1-chloro-1-cyclobutylethane

acetamide

1,1,1-tri(bromomethyl)propane

Downstream raw materials:

1-butylene

ethene

3-methylpentane

hexane

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