3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline

Base Information

• Chemical Name: 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
• CAS No.: 115607-61-9
• Molecular Formula: C21H22 N2 O2
• Molecular Weight: 334.418
• DSSTox Substance ID: DTXSID40151146
• Nikkaji Number: J400.470A
• Wikidata: Q83017549
• ChEMBL ID: CHEMBL327717
• Mol file: 115607-61-9.mol

Synonyms:3-butyryl-4-(2-methylphenylamino)-8-methoxyquinoline;SK and F 96067;SKF-96067

Chemical Property of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline

Chemical Property:

• Vapor Pressure: 4E-09mmHg at 25°C
• Boiling Point: 473.2°Cat760mmHg
• PKA: 3.95±0.50(Predicted)
• Flash Point: 240°C
• PSA: 51.22000
• Density: 1.162g/cm³
• LogP: 5.35120
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 334.168127949
• Heavy Atom Count: 25
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

SKF96067 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC

Technology Process of 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline

There total 12 articles about 3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline 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: 70.0%

C28H27N3O3 → 1-(8-Methoxy-4-phenylamino-quinolin-3-yl)-butan-1-one (142781-74-6) + 3-butyryl-4-(2-methylphenylamino)-8-methoxyquinoline (115607-61-9)

Guidance literature:

In solid; at 250 ℃;

DOI:10.1016/0040-4039(95)01578-6

Reference yield: 70.0%

C28H31N3O2 → 3-butyryl-4-(2-methylphenylamino)-8-methoxyquinoline (115607-61-9)

Guidance literature:

Heating;

DOI:10.1016/0040-4039(95)01578-6

Reference yield: 55.0%

2-[1-(2-Methoxy-phenylamino)-meth-(Z)-ylidene]-3-oxo-hexanoic acid o-tolylamide → 3-butyryl-4-(2-methylphenylamino)-8-methoxyquinoline (115607-61-9)

Guidance literature:

With hexachloroethane; triethylamine; triphenylphosphine; In toluene; at 110 ℃;

DOI:10.1016/0040-4039(95)01578-6

upstream raw materials:

3-butyryl-4-chloro-8-methoxyquinoline

o-toluidine

N,N'-bis(o-methylphenyl)carbodiimide

2-methoxy-phenylamine

Downstream raw materials:

1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-butan-1-ol

Refernces

• 1、 Ife,Brown,Keeling,Leach,Meeson,Parsons,Reavill,Theobald,Wiggall. "Reversible inhibitors of the gastric (H+/K+)-ATPase. 3. 3-Substituted-4- (phenylamino)quinolines". . p. 3413 - 3422. Retrieved 2007/10/02.