4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid

Base Information

Chemical Name:4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid
CAS No.:74446-95-0
Molecular Formula:C20H28O2
Molecular Weight:300.441
Hs Code.:
DSSTox Substance ID:DTXSID00513660
Wikidata:Q82373578

Synonyms:74446-95-0;4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid;SCHEMBL10950481;DTXSID00513660;IYYPLGPGOPCXBC-UHFFFAOYSA-N;4-(4-pentyl-1-bicyclo(2,2,2)-octyl)-benzoic acid

Suppliers and Price of 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid

Supply Marketing:

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

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Chemical Property of 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid

Chemical Property:

XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:300.208930132
Heavy Atom Count:22
Complexity:368

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C(=O)O

Technology Process of 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid

There total 4 articles about 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoic acid 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: 77.0%

: 74446-93-8
1-[4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-phenyl]-ethanone

: 74446-95-0
4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-benzoic acid

Guidance literature:: With potassium hydroxide; bromine; In 1,4-dioxane; water; at 50 ℃; for 0.5h;

Reference yield:

: 74446-94-9
1-Pentyl-4-phenyl-bicyclo[2.2.2]octane

: 74446-95-0
4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / AlCl₃ / CH₂Cl₂ / 2 h / -10 - -5 °C

2: 77 percent / KOH/Br₂ / H₂O; dioxane / 0.5 h / 50 °C

With potassium hydroxide; aluminium trichloride; bromine; In 1,4-dioxane; dichloromethane; water;

Reference yield:

: 76921-55-6
1-hydroxy-4-pentylbicyclo<2.2.2>octane

: 74446-95-0
4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 73 percent / AlCl₃ / 2 h / 17 - 23 °C

2: 83 percent / AlCl₃ / CH₂Cl₂ / 2 h / -10 - -5 °C

3: 77 percent / KOH/Br₂ / H₂O; dioxane / 0.5 h / 50 °C

With potassium hydroxide; aluminium trichloride; bromine; In 1,4-dioxane; dichloromethane; water;