exo-2-Cyanobicyclo[2.2.1]heptane

Base Information

Chemical Name:exo-2-Cyanobicyclo[2.2.1]heptane
CAS No.:3211-90-3
Molecular Formula:C₈H₁₁N
Molecular Weight:121.182
Hs Code.:
DSSTox Substance ID:DTXSID901021442
Mol file:3211-90-3.mol

Synonyms:DTXSID901021442;exo-2-Cyanobicyclo[2.2.1]heptane

Suppliers and Price of exo-2-Cyanobicyclo[2.2.1]heptane

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of exo-2-Cyanobicyclo[2.2.1]heptane

Chemical Property:

PSA：23.79000
LogP:1.94618
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:121.089149355
Heavy Atom Count:9
Complexity:165

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2CC1CC2C#N
Isomeric SMILES:C1C[C@H]2C[C@H]1C[C@H]2C#N

Technology Process of exo-2-Cyanobicyclo[2.2.1]heptane

There total 22 articles about exo-2-Cyanobicyclo[2.2.1]heptane 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: 86.0%

: 34560-28-6
2-vinylbenzonitrile

: 498-66-8
norbornene

: 2234-26-6,3211-87-8,3211-90-3,72002-87-0,72002-88-1,114717-72-5
bicyclo[2.2.1]heptane-2-carbonitrile

: 1,2,3,4,4a,9a-hexahydro-1,4-methano-9-methylen-9H-fluorene

Guidance literature:: With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; dimethylaluminum chloride; triphenylphosphine; In hexane; toluene; at 100 ℃; for 16h; Inert atmosphere; Glovebox;
DOI:10.1002/chem.201604061

Reference yield: 63.0%

: norbornene

: 1-methylcyclohexa-2,5-diene-1-carbonitrile

: 2234-26-6,3211-87-8,3211-90-3,72002-87-0,72002-88-1,114717-72-5
bicyclo[2.2.1]heptane-2-carbonitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tris(pentafluorophenyl)borate; bis[2-(diphenylphosphino)phenyl] ether; In 1,4-dioxane; at 110 ℃; for 20h; regioselective reaction; Glovebox; Inert atmosphere;
DOI:10.1021/jacs.8b10651