4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine

Base Information

• Chemical Name: 4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
• CAS No.: 162542-90-7
• Molecular Formula: C25H27 N O2
• Molecular Weight: 373.495
• UNII: OK8OFX8K7F
• DSSTox Substance ID: DTXSID60936715
• Nikkaji Number: J754.387E
• Pharos Ligand ID: G1R2KLS243TX
• ChEMBL ID: CHEMBL32442
• Mol file: 162542-90-7.mol

Synonyms:4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine;CDP 840;CDP-840;CDP840

Chemical Property of 4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine

Chemical Property:

• Vapor Pressure: 2.88E-09mmHg at 25°C
• Boiling Point: 489.9°C at 760 mmHg
• Flash Point: 174.3°C
• PSA: 31.35000
• Density: 1.122g/cm³
• LogP: 5.78620
• Solubility.: <40.99mg/ml in DMSO
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 373.204179104
• Heavy Atom Count: 28
• Complexity: 438

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

CDP 840 hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(CC2=CC=NC=C2)C3=CC=CC=C3)OC4CCCC4
• Isomeric SMILES: COC1=C(C=C(C=C1)[C@H](CC2=CC=NC=C2)C3=CC=CC=C3)OC4CCCC4

Technology Process of 4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine

There total 29 articles about 4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine 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: 82.0%

(2R,3R)-3-(3-Cyclopentyloxy-4-methoxy-phenyl)-3-phenyl-2-pyridin-4-yl-thiopropionic acid S-propyl ester (468737-15-7) → R-(+)-4-(2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl)pyridine (162542-90-7)

Guidance literature:

(2R,3R)-3-(3-Cyclopentyloxy-4-methoxy-phenyl)-3-phenyl-2-pyridin-4-yl-thiopropionic acid S-propyl ester; With sodium hydroxide;

With hydrogenchloride;

DOI:10.1016/S0960-894X(02)00202-0

Reference yield:

Methanesulfonic acid (R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-1-pyridin-4-yl-ethyl ester → R-(+)-4-(2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl)pyridine (162542-90-7)

Guidance literature:

With acetic acid; zinc; at 20 ℃; for 5h;

DOI:10.1002/anie.200350968

Reference yield:

phenylmagnesium bromide → R-(+)-4-(2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl)pyridine (162542-90-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / CuI / tetrahydrofuran / 15 h / -40 °C

2: Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

3: Zn; acetic acid / 5 h / 20 °C

With copper(l) iodide; acetic acid; triethylamine; zinc; In tetrahydrofuran; dichloromethane;

DOI:10.1002/anie.200350968

upstream raw materials:

4-[(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-1-((S)-toluene-4-sulfinyl)-ethyl]-pyridine

(2R,3R)-3-(3-Cyclopentyloxy-4-methoxy-phenyl)-3-phenyl-2-pyridin-4-yl-thiopropionic acid S-propyl ester

(E)-3-phenylpropenal

(R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-phenylpropionaldehyde

Downstream raw materials:

(R)-4-[2-(3-Cyclopentyloxy-6-iodo-4-methoxyphenyl)-2-phenylethyl]pyridine