Gky4flz8DM

Base Information

• Chemical Name: Gky4flz8DM
• CAS No.: 161190-38-1
• Molecular Formula: C₂₂H₂₃N₃O₃S
• Molecular Weight: 409.509
• UNII: GKY4FLZ8DM
• Mol file: 161190-38-1.mol

Synonyms:(S)-(+)-6-(3-(1-o-tolylimidazol-2-yl)sulfinylpropoxy)-3,4-dihydro-2(1H)-quinolinone;OPC 29030;OPC-29030

Chemical Property of Gky4flz8DM

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 409.14601278
• Heavy Atom Count: 29
• Complexity: 590

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C=CN=C2S(=O)CCCOC3=CC4=C(C=C3)NC(=O)CC4
• Isomeric SMILES: CC1=CC=CC=C1N2C=CN=C2[S@@](=O)CCCOC3=CC4=C(C=C3)NC(=O)CC4

Technology Process of Gky4flz8DM

There total 20 articles about Gky4flz8DM 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: 86.0%

3,4-dihydro-6-<3-(1-o-tolyl-2-imidazolyl)thiopropoxy>-2(1H)-quinolinone (113857-31-1) → (+/-)-3,4-dihydro-6-<3-(1-o-tolyl-2-imidazolyl)sulfinylpropoxy>-2(1H)-quinolinone (161190-39-2,161190-38-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; Ambient temperature;

DOI:10.1248/cpb.43.1724

Reference yield: 80.0%

(SS)-methanesulfonic acid 1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yloxymethyl)-2-(1-o-tolyl-1H-imidazol-2-ylsulfinyl)-ethyl ester (173416-63-2) → (S)-(+)-3,4-dihydro-6-<3-(1-o-tolyl-2-imidazolyl)sulfinylpropoxy>-2(1H)-quinolinone (161190-38-1)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.43.1724

Reference yield: 71.0%

Methanesulfonic acid (R)-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yloxymethyl)-2-((R)-1-o-tolyl-1H-imidazole-2-sulfinyl)-ethyl ester (173523-61-0) → (R)-(-)-3,4-dihydro-6-<3-(1-o-tolyl-2-imidazolyl)sulfinylpropoxy>-2(1H)-quinolinone (161190-38-1)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.43.1724

upstream raw materials:

3,4-dihydro-6-<3-(1-o-tolyl-2-imidazolyl)thiopropoxy>-2(1H)-quinolinone

6-(3-bromopropyloxy)-1,2,3,4-tetrahydro-2-quinolinone

N-(2-methylphenyl)-2-mercaptoimidazole

sodium salt of 6-hydroxy-3,4-dihydrocarbostyril