4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoyl chloride

Base Information

Chemical Name:4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoyl chloride
CAS No.:74446-96-1
Molecular Formula:C20H27ClO
Molecular Weight:318.887
Hs Code.:
DSSTox Substance ID:DTXSID20513662
Wikidata:Q82373581

Synonyms:74446-96-1;4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoyl chloride;DTXSID20513662

Suppliers and Price of 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoyl chloride

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)benzoyl chloride

Chemical Property:

XLogP3:8.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:318.1750432
Heavy Atom Count:22
Complexity:370

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)Cl

Technology Process of 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoyl chloride

There total 5 articles about 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)benzoyl chloride 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: 65.0%

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

: 74446-96-1
4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-benzoyl chloride

Guidance literature:: With thionyl chloride; Heating;

Reference yield:

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

: 74446-96-1
4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-benzoyl chloride

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: 65 percent / SOCl₂ / Heating

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

Reference yield:

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

: 74446-96-1
4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-benzoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / KOH/Br₂ / H₂O; dioxane / 0.5 h / 50 °C

2: 65 percent / SOCl₂ / Heating

With potassium hydroxide; thionyl chloride; bromine; In 1,4-dioxane; water;