Cycloheptene

Base Information

• Chemical Name: Cycloheptene
• CAS No.: 45509-99-7
• Molecular Formula: C₇H₁₂
• Molecular Weight: 96.1723
• European Community (EC) Number: 211-060-4
• NSC Number: 5162
• UN Number: 2242
• UNII: KRY3SY05AH
• DSSTox Substance ID: DTXSID4074560
• Nikkaji Number: J36.148H,J36.149F,J43.273C
• Wikipedia: Cycloheptene
• Wikidata: Q867317
• Mol file: 45509-99-7.mol

Synonyms:CYCLOHEPTENE;628-92-2;cis-Cycloheptene;(Z)-Cycloheptene;45509-99-7;KRY3SY05AH;NSC 5162;NSC-5162;EINECS 211-060-4;UN2242;1-Cycloheptene;Cycloheptene(Z);trans-Cyclohepten;(E)-Cycloheptene;1-Cycloheptene #;MFCD00004156;Cycloheptene, 97%;(E)-1-Cycloheptene;UNII-KRY3SY05AH;(1Z)-CYCLOHEPTENE;DTXSID4074560;NSC5162;NA2242;AKOS009156390;UN 2242;BP-21367;C0688;Cycloheptene [UN2242] [Flammable liquid];FT-0624173;EN300-41579;D89286;A834070;Q867317;26426-65-3

Chemical Property of Cycloheptene

Chemical Property:

• Boiling Point: 115.6°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.818g/cm³
• LogP: 0.00000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 96.093900383
• Heavy Atom Count: 7
• Complexity: 54.4
• Transport DOT Label: Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: C1CCC=CCC1

Technology Process of Cycloheptene

There total 168 articles about Cycloheptene 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: 95.0%

2-(cycloheptyloxy)tropone (87563-17-5) → Cycloheptene (628-92-2,45509-99-7) + 2-hydroxy-2,4,6-cycloheptatrien-1-one (533-75-5)

Guidance literature:

In dimethylsulfoxide-d6; at 180 ℃; for 2h;

DOI:10.1039/c39830000483

Reference yield: 70.0%

C13H15NO2S → 3-methyl-1-cyclohexene (591-48-0) + bicyclo[4.1.0]heptane (286-08-8) + Cycloheptene (628-92-2,45509-99-7)

Guidance literature:

With thiophenol; Irradiation;

DOI:10.1002/anie.200603282

Reference yield: 39.0%

bicyclo[4.1.0]heptane (286-08-8) → 1-methylcyclohex-1-ene (591-49-1) + 3-methyl-1-cyclohexene (591-48-0) + Cycloheptene (628-92-2,45509-99-7)

Guidance literature:

With iodine; In dichloromethane; for 8h; Irradiation;

DOI:10.1016/S0040-4020(01)92370-1

upstream raw materials:

quinoline

1,2-dibromocycloheptane

cycloheptyl bromide

phthalic anhydride

Downstream raw materials:

cyclohept-1-en-1-yl(phenyl)methanone

N-cycloheptylacetamide

((1S,2S)-2-Methoxy-cyclopentylselanyl)-benzene

C₂₂H₂₃NO

Refernces

• 1、 Huang, Lin,Bismuto, Alessandro,Rath, Simon A.,Trapp, Nils,Morandi, Bill. "Ruthenium-Catalyzed Dehydrogenation Through an Intermolecular Hydrogen Atom Transfer Mechanism". supporting information. p. 7290 - 7296. Retrieved 2021/03/01.
• 2、 Wu, Nai-Wei,Petsalakis, Ioannis D.,Theodorakopoulos, Giannoula,Yu, Yang,Rebek, Julius. "Cavitands as Containers for α,ω-Dienes and Chaperones for Olefin Metathesis". supporting information. p. 15091 - 15095. Retrieved 2018/10/31.