2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-OL

Base Information

• Chemical Name: 2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-OL
• CAS No.: 923289-21-8
• Molecular Formula: C17H18 N2 O2 S
• Molecular Weight: 314.408
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID10693886
• Nikkaji Number: J3.337.941B
• Wikidata: Q72486351
• Mol file: 923289-21-8.mol

Synonyms:923289-21-8;2-(4-ISOPROPYLTHIAZOL-2-YL)-7-METHOXY-8-METHYLQUINOLIN-4-OL;4-Quinolinol, 7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-;7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;4-Hydroxy-2-(4-isopropyl-2-thiazolyl)-7-methoxy-8-methylquinoline;4-Quinolinol,7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-;4-quinolinol,7-methoxy-8-methyl-2-(4-(1-methylethyl)-2-thiazolyl)-;SCHEMBL313693;DTXSID10693886;LPPRPUJPNUYIKH-UHFFFAOYSA-N;BCP13817;CS-B0014;4-hydroxy-2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinoline;FD7118;MFCD11042287;8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]-7-(methyloxy)-4-quinolinol;AKOS015904550;AC-25669;CS-13196;SY060355;AM20120660;FT-0688435;A844199;A1-01691;2-(4-Isopropylthiazole-2-yl)-7-methoxy-8-methylquinoline-4-ol;2-(4-isopropylthiazol-2-yl)-4-hydroxy-7-methoxy-8-methyl-quinoline;4-hydroxy-2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinoline;2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4(1H)-quinolinone;7-Methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4(1H)-one;2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methyl-1H-quinolin-4-one;2-(4-Isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-ol

Chemical Property of 2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-OL

Chemical Property:

• Vapor Pressure: 2.37E-11mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 518 ºC at 760 mmHg
• PKA: 7.96±0.61(Predicted)
• Flash Point: 267.1 ºC
• PSA: 83.48000
• Density: 1.240
• LogP: 4.50430
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 314.10889899
• Heavy Atom Count: 22
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC2=C1NC(=CC2=O)C3=NC(=CS3)C(C)C)OC

Technology Process of 2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-OL

There total 19 articles about 2-(4-Isopropylthiazol-2-YL)-7-methoxy-8-methylquinolin-4-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: 99.0%

N-(6-acetyl-2-methyl-3-methoxyphenyl)-4-isopropylthiazole-2-carboxamide (923289-20-7) → 8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]-7-(methyloxy)-4-quinolinol (923289-21-8)

Guidance literature:

N-(6-acetyl-2-methyl-3-methoxyphenyl)-4-isopropylthiazole-2-carboxamide; With potassium tert-butylate; In tert-butyl alcohol; for 18h; Reflux; Inert atmosphere;

With hydrogenchloride; In water; ethyl acetate; at 20 ℃;

Reference yield: 80.0%

2-(4,7-dimethoxy-8-methylquinoline-2-yl)-4-isopropylthiazole → 8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]-7-(methyloxy)-4-quinolinol (923289-21-8)

Guidance literature:

With hydrogenchloride; In water; for 14h; Inert atmosphere; Reflux;

DOI:10.1055/s-0033-1340679

Reference yield: 60.0%

→ 8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]-7-(methyloxy)-4-quinolinol (923289-21-8)

Guidance literature:

upstream raw materials:

N-(6-acetyl-2-methyl-3-methoxyphenyl)-4-isopropylthiazole-2-carboxamide

3-methyl-butan-2-one

1-(2-amino-4-methoxy-3-methyl-phenyl)ethanone

4-isopropylthiazole-2-carboxylic acid

Downstream raw materials:

methyl (1R,2R,4S)-2-[5-hexen-1-yl(methyl)carbamoyl]-4-[[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy]cyclopentanecarboxylate

C₃₁H₃₉N₃O₅S

C₃₂H₃₄N₂O₆S

ethyl (1R,2S)-2-ethenyl-1-({[(1R,2R,4R)-2-[hex-5-en-1-yl-(methyl)carbamoyl]-4-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)cyclopentyl]carbonyl}-amino)cyclopropanecarboxylate

Refernces

• 1、 -. "Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections". Page/Page column 101; 102; 104. . Retrieved 2016/06/28.
• 2、 Kazmierski, Wieslaw M.,Hamatake, Robert,Duan, Maosheng,Wright, Lois L.,Smith, Gary K.,Jarvest, Richard L.,Ji, Jing-Jing,Cooper, Joel P.,Tallant, Matthew D.,Crosby, Renae M.,Creech, Katrina,Wang, Amy,Li, Xianfeng,Zhang, Suoming,Zhang, Yong-Kang,Liu, Yang,Ding, Charles Z.,Zhou, Yasheen,Plattner, Jacob J.,Baker, Stephen J.,Bu, Wei,Liu, Liang. "Discovery of novel urea-based hepatitis C protease inhibitors with high potency against protease-inhibitor-resistant mutants". supporting information; experimental part. p. 3021 - 3026. Retrieved 2012/06/01.