Butyl 2-butoxyquinoline-4-carboxylate

Base Information

• Chemical Name: Butyl 2-butoxyquinoline-4-carboxylate
• CAS No.: 107779-36-2
• Molecular Formula: C18H23NO3
• Molecular Weight: 301.386
• DSSTox Substance ID: DTXSID101347921
• Nikkaji Number: J45.533D
• Wikidata: Q63396555
• Mol file: 107779-36-2.mol

Synonyms:Butyl 2-butoxyquinoline-4-carboxylate;107779-36-2;SCHEMBL9200082;ZPIBVASLHDCEHZ-UHFFFAOYSA-N;DTXSID101347921;Butyl2-butoxyquinoline-4-carboxylate;Butyl 2-butoxy-4-quinolinecarboxylate;AKOS024463398;2-n-butoxy-4-n-butoxycarbonylquinoline;SB72761;A895396;2-BUTOXY-4-QUINOLINECARBOXYLIC ACID BUTYLESTER;Q63396555

Chemical Property of Butyl 2-butoxyquinoline-4-carboxylate

Chemical Property:

• PSA: 48.42000
• LogP: 4.37060
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 301.16779360
• Heavy Atom Count: 22
• Complexity: 334

Purity/Quality:

98.5% ^*data from raw suppliers

Butyl2-butoxyquinoline-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC

Technology Process of Butyl 2-butoxyquinoline-4-carboxylate

There total 2 articles about Butyl 2-butoxyquinoline-4-carboxylate 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: 34.0%

1-iodo-butane (542-69-8) + 2-hydroxyquinoline-4-carboxylic acid (15733-89-8,84906-81-0) → 2-(n-butyloxy)-4-(n-butyloxycarbonyl)-quinoline (107779-36-2) + 1-(n-butyl)-4-(n-butyloxycarbonyl)-2-oxo-1,2-dihydroquinoline (139094-73-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 24h; Ambient temperature;

DOI:10.1021/jm00104a016

Reference yield:

2-chloroquinoline-4-carbonyl chloride (2388-32-1) + sodium butanolate (2372-45-4) → 2-(n-butyloxy)-4-(n-butyloxycarbonyl)-quinoline (107779-36-2)

Guidance literature:

With butan-1-ol;

Reference yield: 90.0%

2-(n-butyloxy)-4-(n-butyloxycarbonyl)-quinoline (107779-36-2) → 2-(n-butyloxy)-4-quinolinecarboxylic acid (10222-61-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 0.5h; Ambient temperature;

DOI:10.1021/jm00104a016

upstream raw materials:

2-chloroquinoline-4-carbonyl chloride

sodium butanolate

1-iodo-butane

2-hydroxyquinoline-4-carboxylic acid

Downstream raw materials:

Dibucaine

2-(n-butyloxy)-4-quinolinecarboxylic acid

(2-butoxy-[4]quinolyl)-carbamic acid-(2-diethylamino-ethyl ester)

Refernces