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

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

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:

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)-

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:

Reference yield: 89.0%

: 346630-03-3
3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}benzaldehyde

: 346629-84-3
3-methyl-5-[4-(methylsulfonyl)benzyl]-1,2,4-oxadiazole

: 346629-30-9
L-454,560

Guidance literature:: With piperidine; In isopropyl alcohol; at 20 ℃; for 22h; Reflux; Molecular sieve; Large scale;
DOI:10.1021/op050116l

Reference yield:

: 871107-97-0
5-{(E)-1-(4-Methanesulfonyl-phenyl)-2-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-vinyl}-3-methyl-[1,2,4]oxadiazole

: 346629-99-0
8-bromo-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline

: 3-{3-[6-(cyano-dimethyl-methyl)-quinolin-8-yl]-phenyl}-N-isopropyl-2-(4-methanesulfonyl-phenyl)-acrylamide

: 346629-30-9
L-454,560

Guidance literature:: With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 80 ℃;
DOI:10.1016/j.bmcl.2005.08.036

Reference yield:

: 84839-95-2
6-methyl-8-bromoquinoline

: 346629-30-9
L-454,560

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