1-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

Base Information

• Chemical Name: 1-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol
• CAS No.: 142569-70-8
• Molecular Formula: C29H28ClNO2
• Molecular Weight: 458
• Hs Code.: 29334900
• European Community (EC) Number: 604-295-2
• Mol file: 142569-70-8.mol

Synonyms:142569-70-8;FT-0659668;FT-0664951;FT-0664952

Chemical Property of 1-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

Chemical Property:

• Appearance/Colour: pale-yellow foam
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.686
• Boiling Point: 636.8 °C at 760mmHg
• PKA: 14.15±0.20(Predicted)
• Flash Point: 338.9 °C
• PSA: 53.35000
• Density: 1.244 g/cm³
• LogP: 6.95220
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Sparingly), Methanol (Sparingly)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 457.1808568
• Heavy Atom Count: 33
• Complexity: 637

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O)O
• Uses: 2-[3-(S)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol is a montelukast impurity.

Technology Process of 1-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

There total 1 articles about 1-[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol 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: 89.0%

→ (S)-1-{3-[2-(7-chloroquinolin-2-yl)ethylene]-phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]-propan-1-ol (142569-70-8)

Guidance literature:

In toluene; at 5 - 25 ℃; for 2h; Purification / work up; Heating / reflux;

Reference yield: 97.8%

(S)-1-{3-[2-(7-chloroquinolin-2-yl)ethylene]-phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]-propan-1-ol (142569-70-8) + chlorophosphoric acid diphenyl ester (2524-64-3) → 2-(2-(3-(S)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-diphenylphosphatoxypropyl)phenyl)-2-propanol

Guidance literature:

With dmap; triethylamine; In hexane; dichloromethane; ethyl acetate; toluene;

Reference yield: 92.6%

(S)-1-{3-[2-(7-chloroquinolin-2-yl)ethylene]-phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]-propan-1-ol (142569-70-8) + phosphoric acid diphenyl ester chloride (103137-47-9) → 2-(2-(3-(S)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-diphenylphosphatoxypropyl)phenyl)-2-propanol

Guidance literature:

With dmap; In toluene; at 20 ℃; Reagent/catalyst; Solvent;

Downstream raw materials:

2-(2-(3(S)-(3-(2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(methanesulfonyl-1-oxy)methylethyl)phenyl)-2-propanol

montelukast

1-(((1(R)-(3-(2(E)-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropane acetic acid methyl ester

dicyclohexylamine 1-(((1-(R)-(3-(2-(7-chloro-2-quinolidyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methyl-ethyl)phenyl)propyl)thio)methyl)cyclopropanyl acetate