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Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-

Base Information Edit
  • Chemical Name:Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-
  • CAS No.:346629-30-9
  • Molecular Formula:C31H29N3O5S2
  • Molecular Weight:587.72
  • Hs Code.:
  • UNII:G6GSO9SDNJ
  • Nikkaji Number:J2.553.538C
  • Pharos Ligand ID:TFYTR8DJGHKM
  • ChEMBL ID:CHEMBL372575
  • Mol file:346629-30-9.mol
Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-

Synonyms:L-454,560

Suppliers and Price of Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • American Custom Chemicals Corporation
  • 6-[1-METHYL-1-(METHYLSULFONYL)ETHYL]-8-[3-[(E)-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-2-[4-(METHYLSULFONYL)PHENYL]VINYL]PHENYL]QUINOLINE 95.00%
  • 5MG
  • $ 327.80
Total 6 raw suppliers
Chemical Property of Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)- Edit
Chemical Property:
  • PSA:136.85000 
  • LogP:8.02690 
  • XLogP3:5.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:7
  • Exact Mass:587.15486338
  • Heavy Atom Count:41
  • Complexity:1150
Purity/Quality:

99% *data from raw suppliers

6-[1-METHYL-1-(METHYLSULFONYL)ETHYL]-8-[3-[(E)-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-2-[4-(METHYLSULFONYL)PHENYL]VINYL]PHENYL]QUINOLINE 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=NOC(=N1)C(=CC2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C5=CC=C(C=C5)S(=O)(=O)C
  • Isomeric SMILES:CC1=NOC(=N1)/C(=C/C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)/C5=CC=C(C=C5)S(=O)(=O)C
  • Recent ClinicalTrials:A Study of MK0359 in Patients With Chronic Obstructive Pulmonary Disease (COPD)(0359-016)
Technology Process of Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-

There total 9 articles about Quinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)- 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:
Guidance literature:
With piperidine; In isopropyl alcohol; at 20 ℃; for 22h; Reflux; Molecular sieve; Large scale;
DOI:10.1021/op050116l
Guidance literature:
Multi-step reaction with 6 steps
1.1: 2,2'-azobis-(2,4-dimethylvaleronitrile); N-Bromosuccinimide / chlorobenzene / 19 h / 48 - 52 °C / Inert atmosphere; Large scale
2.1: N,N-dimethyl-formamide / 3 h / 13 - 17 °C / Large scale
2.2: 1 h / 75 - 80 °C / Large scale
3.1: sodium t-butanolate / N,N-dimethyl-formamide
4.1: sodium t-butanolate / N,N-dimethyl-formamide
5.1: potassium carbonate; 5%-palladium/activated carbon / N,N-dimethyl-formamide; water / 2 h / 0.8 °C / Inert atmosphere; Large scale
6.1: piperidine / isopropyl alcohol / 22 h / 20 °C / Reflux; Molecular sieve; Large scale
With piperidine; N-Bromosuccinimide; 2,2'-azobis-(2,4-dimethylvaleronitrile); 5%-palladium/activated carbon; potassium carbonate; sodium t-butanolate; In water; N,N-dimethyl-formamide; chlorobenzene; isopropyl alcohol; 5.1: |Suzuki-Miyaura Coupling / 6.1: |Knoevenagel Condensation;
DOI:10.1021/op050116l
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