p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate

Base Information

• Chemical Name: p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate
• CAS No.: 72928-55-3
• Molecular Formula: C25H29NO2
• Molecular Weight: 375.511
• Hs Code.: 2926909090
• Mol file: 72928-55-3.mol

Synonyms:4-cyanophenyl 4-(4-pentylcyclohexyl)benzoate;benzoic acid, 4-(4-pentylcyclohexyl)-, 4-cyanophenyl ester;

Chemical Property of p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate

Chemical Property:

• Vapor Pressure: 2.53E-11mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 530.1 °C at 760 mmHg
• Flash Point: 268.7 °C
• PSA: 50.09000
• Density: 1.1 g/cm³
• LogP: 6.63158
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-Cyanophenyl4-(trans-4-Pentylcyclohexyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediates of Liquid Crystals

Technology Process of p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate

There total 12 articles about p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate 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: 69.0%

4-cyanophenol (767-00-0) + 4-(trans-4'-n-Pentylcyclohexyl)benzoic acid chloride (73011-79-7) → 4-(4-Pentyl-cyclohexyl)-benzoic acid 4-cyano-phenyl ester (72928-55-3,71352-36-8)

Guidance literature:

With pyridine; In Dimethyl ether; overnight;

Reference yield:

4-n-pentylcyclohexanone (61203-83-6) → 4-(4-Pentyl-cyclohexyl)-benzoic acid 4-cyano-phenyl ester (72928-55-3,71352-36-8)

Guidance literature:

Multi-step reaction with 7 steps

1: 2.) 10percent aq. HCl / 1.) diethyl ether, 1 h, heating

2: p-toluenesulfonic acid / toluene / Heating

3: H₂ / 10percent Pd/C / ethanol

4: AlCl₃ / 1,2-dichloro-ethane / 0.5 h

5: aq. NaOH, Br₂ / dioxane / 3 h / 35 - 40 °C

6: SOCl₂ / 1 h / Heating

7: 69 percent / pyridine / dimethyl ether / overnight

With pyridine; hydrogenchloride; sodium hydroxide; aluminium trichloride; thionyl chloride; hydrogen; bromine; toluene-4-sulfonic acid; palladium on activated charcoal; In 1,4-dioxane; ethanol; Dimethyl ether; 1,2-dichloro-ethane; toluene;

Reference yield:

phenylmagnesium bromide → 4-(4-Pentyl-cyclohexyl)-benzoic acid 4-cyano-phenyl ester (72928-55-3,71352-36-8)

Guidance literature:

Multi-step reaction with 7 steps

1: 2.) 10percent aq. HCl / 1.) diethyl ether, 1 h, heating

2: p-toluenesulfonic acid / toluene / Heating

3: H₂ / 10percent Pd/C / ethanol

4: AlCl₃ / 1,2-dichloro-ethane / 0.5 h

5: aq. NaOH, Br₂ / dioxane / 3 h / 35 - 40 °C

6: SOCl₂ / 1 h / Heating

7: 69 percent / pyridine / dimethyl ether / overnight

With pyridine; hydrogenchloride; sodium hydroxide; aluminium trichloride; thionyl chloride; hydrogen; bromine; toluene-4-sulfonic acid; palladium on activated charcoal; In 1,4-dioxane; ethanol; Dimethyl ether; 1,2-dichloro-ethane; toluene;

upstream raw materials:

4-cyanophenol

4-(trans-4'-n-Pentylcyclohexyl)benzoic acid chloride

4-n-pentylcyclohexanone

4-(4'-pentyl-cyclohexyl)-acetophenone