(S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

Base Information

• Chemical Name: (S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate
• CAS No.: 142569-69-5
• Molecular Formula: C28H24NO3Cl
• Molecular Weight: 457.956
• European Community (EC) Number: 604-294-7,605-917-5
• Nikkaji Number: J2.100.385I,J733.675F
• Mol file: 142569-69-5.mol

Synonyms:142569-69-5;181139-72-0;(S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate;Methyl [E]-2-[3-(S)-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]benzoate;(S,E)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate;2-[3-(S)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]benzoic Acid Methyl Ester;methyl 2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate;METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE;2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)-ethenyl]-phenyl]-3-hydroxypropyl]benzoic acid methyl ester;SCHEMBL202013;SCHEMBL202015;BCP10041;AC-602;AKOS015896146;AKOS025310516;AC-8735;methyl (S,E)-2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate;METHYL1-[E]-2-[3-(S)-[3-[2-(7-CHLORO-2-QUINOLINYL)ETHENYL]PHENYL]-3-HYDROXYPROPY]BENZOATE;CS-0006589;F20720;A812594;A851004;J-521719;(S)-methyl2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate;(S,e)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)-vinyl)phenyl)-3-hydroxypropyl)benzoate;Methyl (S)-2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate;methyl 2-((S)-3-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate;methyl 2-[(3s)-[3-[(2e)-(7-chloro quinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate;(alphaS)-alpha-[2-(Methoxycarbonyl)phenethyl]-3-[2-(7-chloro-2-quinolinyl)vinyl]benzenemethanol;2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-,benzoic acid methyl ester;2-[(S)-3-[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoic acid methyl ester;Benzoic acid,2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]-, methylester, (S)-;Methyl 2-[(3S)-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate

Chemical Property of (S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 1.13E-16mmHg at 25°C
• Melting Point: 88-90 °C
• Refractive Index: 1.668
• Boiling Point: 643.972 °C at 760 mmHg
• PKA: 14.11±0.20(Predicted)
• Flash Point: 343.262 °C
• PSA: 59.42000
• Density: 1.279 g/cm³
• LogP: 6.51140
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 457.1444713
• Heavy Atom Count: 33
• Complexity: 655

Purity/Quality:

98%min. ^*data from raw suppliers

2-[3-(S)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]benzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O
• Isomeric SMILES: COC(=O)C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O
• Uses: An intermediate in the synthesis of Montelukast An intermediate in the synthesis of Montelukast.

Technology Process of (S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

There total 6 articles about (S)-Methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)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: 99.0%

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester (133791-17-0) → 2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester (142569-69-5)

Guidance literature:

With C₃₂H₃₉BrMnN₂O₂P; potassium tert-butylate; hydrogen; In methanol; at 20 ℃; for 16h; under 22502.3 Torr; enantioselective reaction; Glovebox; Autoclave;

DOI:10.1002/anie.201814751

Reference yield: 94.7%

→ 2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester (142569-69-5)

Guidance literature:

Reference yield: 65.0%

methyl 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate (149968-11-6) → 2-[(3S)-3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-hydroxypropyl]benzoic acid methyl ester (142569-69-5)

Guidance literature:

In tetrahydrofuran; methanol; water;

upstream raw materials:

methyl 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate

2-(3-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-oxopropyl)benzoic acid methyl ester

ethanol

Refernces

• 1、 -. "Chiral amino-pyridine-phosphine tridentate ligand, manganese complex, and preparation method and application thereof". Paragraph 0597-0600; 0603. . Retrieved 2020/07/13.
• 2、 -. "meng Ruse special chiral method for the preparation of intermediates". Paragraph 0052; 0053. . Retrieved 2017/02/09.