Bicyclo[3.2.1]octa-2,6-diene

Base Information Edit

Chemical Name:Bicyclo[3.2.1]octa-2,6-diene
CAS No.:4096-95-1
Molecular Formula:C8H10
Molecular Weight:106.167
Hs Code.:
DSSTox Substance ID:DTXSID50961339
Nikkaji Number:J751.194I
Mol file:4096-95-1.mol

Synonyms:Bicyclo[3.2.1]octa-2,6-diene;Bicyclo(3.2.1)octa-2,6-diene;4096-95-1;ghl.PD_Mitscher_leg0.735;DTXSID50961339

Suppliers and Price of Bicyclo[3.2.1]octa-2,6-diene

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Bicyclo[3.2.1]octa-2,6-diene Edit

Chemical Property:

Vapor Pressure:5.84mmHg at 25°C
Boiling Point:146.5°C at 760 mmHg
Flash Point:20.4°C
PSA：0.00000
Density:0.969g/cm³
LogP:2.13860
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:106.078250319
Heavy Atom Count:8
Complexity:142

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C=CC2CC1C=C2

Technology Process of Bicyclo[3.2.1]octa-2,6-diene

There total 5 articles about Bicyclo[3.2.1]octa-2,6-diene 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: 44.0%

: 80976-42-7
bicyclo<3.2.1>octa-3,6-dien-2-one tosylhydrazone lithium salt

: 765-72-0
tetracyclo<3.3.0^2,8.0^4,6.0>octane

: 4096-95-1,61617-42-3
bicyclo<3.2.1>octa-2,6-diene

: 57015-38-0
5-ethynyl-1,3-cyclohexadiene

: 3725-23-3
tricyclo<3.2.1.0^2,7>oct-3-ene

Guidance literature:: at 198 ℃; for 0.166667h; under 0.1 Torr; Yield given. Further byproducts given;
DOI:10.1021/jo00132a011

Reference yield: 18.9%

: 80976-41-6
bicyclo<3.2.1>octa-3,6-dien-2-one tosylhydrazone

: 765-72-0
tetracyclo<3.3.0^2,8.0^4,6.0>octane

: 4096-95-1,61617-42-3
bicyclo<3.2.1>octa-2,6-diene

: 57015-38-0
5-ethynyl-1,3-cyclohexadiene

: 6909-37-1
semibullvalene

: 3725-23-3
tricyclo<3.2.1.0^2,7>oct-3-ene

: 77879-68-6
endo-6-ethynylbicyclo<3.1.0>hex-2-ene

Guidance literature:: With 18-crown-6 ether; potassium hydride; In diethylene glycol dimethyl ether; at 140 ℃; for 2h; Product distribution; Mechanism; decomposition of the lithium salt of the tosylhydrazone; various conditions of decomp.;
DOI:10.1021/jo00132a011