trans-4-Heptylcyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-4-Heptylcyclohexanecarboxylic acid
• CAS No.: 65355-31-9
• Molecular Formula: C20H30 O2
• Molecular Weight: 302.457
• Mol file: 65355-31-9.mol

Synonyms:Benzoicacid, 4-(4-heptylcyclohexyl)-, trans-; 4-(trans-4-Heptylcyclohexyl)benzoic acid

Chemical Property of trans-4-Heptylcyclohexanecarboxylic acid

Chemical Property:

• Boiling Point: 436.8±24.0 °C(Predicted)
• PKA: 4.33±0.10(Predicted)
• PSA: 37.30000
• Density: 0.997±0.06 g/cm3(Predicted)
• LogP: 4.23790

Purity/Quality:

98%min ^*data from raw suppliers

4-TRANS-HEPTYLCYCLOHEXYL BENZOIC ACID 95.00% ^*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 trans-4-Heptylcyclohexanecarboxylic acid

There total 10 articles about trans-4-Heptylcyclohexanecarboxylic 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: 88.9%

4-(trans-4-n-heptylcyclohexyl)acetophenone (78531-60-9) → 4'-benzoesaeure (65355-31-9)

Guidance literature:

With sodium hydroxide; bromine; In 1,4-dioxane; for 5h;

DOI:10.1080/00268948208072585

Reference yield:

4-n-heptylcyclohexanone (16618-75-0) → 4'-benzoesaeure (65355-31-9)

Guidance literature:

Multi-step reaction with 5 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

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

Reference yield:

phenylmagnesium bromide → 4'-benzoesaeure (65355-31-9)

Guidance literature:

Multi-step reaction with 5 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

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

upstream raw materials:

4-(trans-4-heptylcyclohexyl)benzonitrile

4-(trans-4-n-heptylcyclohexyl)acetophenone

4-n-heptylcyclohexanone

(4-n-heptylcyclohexen-1-yl)-benzene

Downstream raw materials:

methyl 4-(trans-4-heptylcyclohexyl)benzoate

(S)-1-(benzyloxycarbonyl)-2-methylpropyl 4-(trans-4-heptylcyclohexyl)benzoate

trans-4-(4-Heptylcyclohexyl)benzoesaeurechlorid

trans-4-heptyl-1-phenylcyclohexane

Refernces

• 1、 Bezborodov, V. S.,Bubel', O. N.,Konovalov, V. A.,Ptashnikov, Yu. L.. "SYNTHESIS OF TRANS-4-ALKYL-1-PHENYLCYCLOHEXANES AND THEIR DERIVATIVES". . p. 1479 - 1483. Retrieved 2007/10/02.