2-(2-Phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate

Base Information

• Chemical Name: 2-(2-Phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
• CAS No.: 89450-34-0
• Molecular Formula: C₂₆H₄₀O₂
• Molecular Weight: 384.602
• DSSTox Substance ID: DTXSID50699226
• Mol file: 89450-34-0.mol

Synonyms:89450-34-0;DTXSID50699226;2-(2-phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate

Chemical Property of 2-(2-Phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate

Chemical Property:

• PSA: 40.13000
• LogP: 5.78830
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 383.295005483
• Heavy Atom Count: 28
• Complexity: 440

Purity/Quality:

99.0.% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)CCC2CCC(C(C2)CCC3=CC=CC=C3)C(=O)[O-]

Technology Process of 2-(2-Phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate

There total 5 articles about 2-(2-Phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate 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:

trans-4-propylcyclohexyl acetyl chloride (73899-61-3) → 4-Ethyl-cyclohexanecarboxylic acid 4-[2-(4-propyl-cyclohexyl)-ethyl]-phenyl ester (89450-34-0)

Guidance literature:

Multi-step reaction with 4 steps

2: H₂ / Raney Ni

3: HBr, H₂SO₄

4: pyridine

With sulfuric acid; hydrogen bromide; hydrogen; nickel; In pyridine;

DOI:10.1080/00268948408072440

Reference yield:

1-(4-Methoxy-phenyl)-2-(4-propyl-cyclohexyl)-ethanone (89450-45-3) → 4-Ethyl-cyclohexanecarboxylic acid 4-[2-(4-propyl-cyclohexyl)-ethyl]-phenyl ester (89450-34-0)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Raney Ni

2: HBr, H₂SO₄

3: pyridine

With sulfuric acid; hydrogen bromide; hydrogen; nickel; In pyridine;

DOI:10.1080/00268948408072440

Reference yield:

C10H19BrMg (1023967-90-9) → 4-Ethyl-cyclohexanecarboxylic acid 4-[2-(4-propyl-cyclohexyl)-ethyl]-phenyl ester (89450-34-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) SOCl₂ / 1.) ether

3: H₂ / Raney Ni

4: HBr, H₂SO₄

5: pyridine

With thionyl chloride; sulfuric acid; hydrogen bromide; hydrogen; nickel; In pyridine;

DOI:10.1080/00268948408072440

upstream raw materials:

4-<2-(trans-4-propylcyclohexyl)ethyl>phenol

trans-4-ethylcyclohexane-1-carboxylic acid chloride

trans-4-propylcyclohexyl acetyl chloride

2-(trans-4-propylcyclohexyl)-1-(methoxyphenyl)ethane