N-(endo-8-(3-hydroxypropyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide

Base Information

• Chemical Name: N-(endo-8-(3-hydroxypropyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide
• CAS No.: 174486-39-6
• Molecular Formula: C₂₃H₃₁N₃O₃
• Molecular Weight: 397.517
• Nikkaji Number: J1.441.191G

Synonyms:N-(endo-8-(3-hydroxypropyl)-8-azabicyclo(3,2,1)oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide;TS-951;TS951

Chemical Property of N-(endo-8-(3-hydroxypropyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 397.23654186
• Heavy Atom Count: 29
• Complexity: 648

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CCCO
• Isomeric SMILES: CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4CCCO

Technology Process of N-(endo-8-(3-hydroxypropyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide

There total 17 articles about N-(endo-8-(3-hydroxypropyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide 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: 93.0%

1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxylic acid chloride (174486-98-7) + endo-3-amino-8-(3-hydroxypropyl)-8-azabicyclo[3.2.1]octane dihydrochloride → N-(endo-8-(3-hydroxy)propyl-8-azabicyclo[3.2.1]oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide (174486-39-6) + 1-Isopropyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3-{(1R,3R,5S)-3-[(1-isopropyl-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-8-aza-bicyclo[3.2.1]oct-8-yl}-propyl ester

Guidance literature:

With sodium hydroxide; In toluene; at 5 - 20 ℃; for 1h;

DOI:10.3987/COM-00-9026

Reference yield: 90.0%

1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxylic acid chloride (174486-98-7) + endo-3-amino-8-(3-hydroxypropyl)-8-azabicyclo[3.2.1]octane → N-(endo-8-(3-hydroxy)propyl-8-azabicyclo[3.2.1]oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide (174486-39-6)

Guidance literature:

With sodium hydroxide; at 10 ℃; for 0.5h;

DOI:10.1248/cpb.49.29

Reference yield: 21.8%

N-(endo-8-azabicyclo[3.2.1]octy-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide + 1-bromo-3-propanol (627-18-9) → N-(endo-8-(3-hydroxy)propyl-8-azabicyclo[3.2.1]oct-3-yl)-1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxamide (174486-39-6)

Guidance literature:

With potassium carbonate; In ethanol; for 10h; Heating;

DOI:10.3987/COM-00-9026

upstream raw materials:

1-isopropyl-2-oxo-1,2-dihydro-3-quinolinecarboxylic acid chloride

1-bromo-3-propanol

2-Aminobenzyl alcohol

2,2-dimethyl-1,4-dihydro-2H-3,1-benzoxazine

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