2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol

Base Information

• Chemical Name: 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol
• CAS No.: 287930-77-2
• Molecular Formula: C29H28ClNO2
• Molecular Weight: 458
• European Community (EC) Number: 608-251-3,604-295-2
• UNII: CA9LM1I3YM
• Nikkaji Number: J2.100.387E,J668.288J
• Wikidata: Q76421761
• Mol file: 287930-77-2.mol

Synonyms:287930-77-2;142569-70-8;2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol;(S)-1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol;Montelukast alcohol;2-[3-(S)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol;(s,e)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol;CA9LM1I3YM;(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol;Montelukast (3S)-hydroxy propanol;2-(2-(3(s)-(3-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl-2-propanol;(1S)-1-[3-[(E)-2-(7-Chloro-2-quinolyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propan-1-ol;(S)-1-(3-((E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)-1-propanol;(1S)-1-[3-[(E)-2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL]-3-[2-(1-HYDROXY-1-METHYL-ETHYL)PHENYL]PROPAN-1-OL;MFCD09038584;(1S)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol;(alphaS)-alpha-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol;(alphaS)-alpha-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol;UNII-CA9LM1I3YM;SCHEMBL201920;SCHEMBL201921;ZSHIDKYITZZTLA-FCPABOFRSA-N;(S)-1-[3-[2-(7-Chloro-2-quinolyl)vinyl]phenyl]-3-[2-(2-hydroxy-2-propyl)phenyl]-1-propanol;Benzenepropanol,a-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (S)-;Montelukast sodium intermediate MK5;AKOS015896143;CS-W009644;DS-1367;(S)-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol;D70533;J-505415;J-507648;(.ALPHA.S)-.ALPHA.-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-2-(1-HYDROXY-1-METHYLETHYL)BENZENEPROPANOL;(1S)-1-[3-[(E)-2-(7-CHLORO-(S)-1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol;2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol;BENZENEPROPANOL, .ALPHA.-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-2-(1-HYDROXY-1-METHYLETHYL)-, (.ALPHA.S)-;Benzenepropanol, |A-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (|AS)-;Benzenepropanol, alpha-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (alphaS)-

Chemical Property of 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol

Chemical Property:

• Vapor Pressure: 0-0Pa at 20-25℃
• Boiling Point: 636.8±55.0 °C(Predicted)
• PKA: 14.10±0.20(Predicted)
• PSA: 53.35000
• Density: 1.244±0.06 g/cm3(Predicted)
• LogP: 6.95220
• Storage Temp.: Refrigerator
• 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:

99.9% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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
• Isomeric SMILES: CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O)O
• Uses: A montelukast impurity.

Technology Process of 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol

There total 37 articles about 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol 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: 100.0%

methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate (181139-72-0) → (S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol (287930-77-2)

Guidance literature:

methylmagnesium chloride; With cerium(III) chloride; In tetrahydrofuran; at -5 - 0 ℃; for 2.5h;

methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate; In tetrahydrofuran; toluene; at 3 - 5 ℃; for 2.25h;

With water; sodium carbonate; acetic acid; more than 3 stages;

Reference yield: 99.2%

methylmagnesium chloride (676-58-4) + methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate (181139-72-0) → (S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol (287930-77-2) + [S-(E)]-1-[2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]-phenyl]-3-hydroxypropyl]phenyl]ethanone (184764-13-4)

Guidance literature:

cerium(III) chloride; In tetrahydrofuran; toluene; at 0 ℃; for 2h; Further Variations:; Reaction partners; catalyst crystal habit; Product distribution;

DOI:10.1002/adsc.200404075

Reference yield: 94.2%

methylmagnesium chloride (676-58-4) + methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate (181139-72-0) → (S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol (287930-77-2)

Guidance literature:

methylmagnesium chloride; With cerium(III) chloride; In tetrahydrofuran; Reflux;

methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate; In tetrahydrofuran; toluene; at -10 ℃;

upstream raw materials:

methylmagnesium chloride

methyl-[(E)]-2-[3(S)-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl] benzoate

2-(1-((((R)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetonitrile

2-[3-(3-bromo-phenyl)-3-oxo-propyl]-benzoic acid methyl ester

Downstream raw materials:

2-[2-[3(S)-[3-[(1E)-2-(7-chloroquinoline-2-yl)ethenyl]phenyl]-3-methanesulfonyloxypropyl]phenyl]-2-propanol

2-(2-(3-(3-((E)-2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-3(S)-(dimethyl(1,1-dimethylethyl)silyloxy)propyl)phenyl)-2-propanol

2-(2-(3-(S)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)-phenyl)-3-diphenylphosphate oxypropyl)phenyl)-2-propanol

(S)-1-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl acetate

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