7-(4-Bromobutoxy)-quinoline-2(1H)-one

Base Information

• Chemical Name: 7-(4-Bromobutoxy)-quinoline-2(1H)-one
• CAS No.: 203395-59-9
• Molecular Formula: C₁₃H₁₄BrNO₂
• Molecular Weight: 296.164
• DSSTox Substance ID: DTXSID00444506
• Nikkaji Number: J2.556.702A
• Wikidata: Q82262657
• Mol file: 203395-59-9.mol

Synonyms:203395-59-9;7-(4-Bromobutoxy)quinolin-2(1H)-one;7-(4-BROMOBUTOXY)-QUINOLINE-2(1H)-ONE;7-(4-bromobutoxy)-1H-quinolin-2-one;MFCD09753615;7-(4-Bromobutoxy)quinoline-2(1H)-one;7-(4-bromobutoxy)quinolinone;SCHEMBL251608;DTXSID00444506;MBOHAVAGDOGRBS-UHFFFAOYSA-N;AKOS027325279;SB71451;AS-10671;PD133218;SY105851;CS-0187242;FT-0663661;D70783;A920781;7-(4-Bromobutoxy)-2(1H)-quinolinone

Chemical Property of 7-(4-Bromobutoxy)-quinoline-2(1H)-one

Chemical Property:

• Melting Point: 126-128 °C
• Boiling Point: 475.3±45.0 °C(Predicted)
• PKA: 11.21±0.70(Predicted)
• Density: 1.418±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Dichloromethane
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 295.02079
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

7-(4-Bromobutoxy)-quinoline-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)N2)OCCCCBr
• Uses: Aripiprazole Bromo Impurity

Technology Process of 7-(4-Bromobutoxy)-quinoline-2(1H)-one

There total 5 articles about 7-(4-Bromobutoxy)-quinoline-2(1H)-one 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: 98.99%

7-(4-bromobutoxy)-3,4-dihydro-2(1H)-quinolinone (129722-34-5) → 7–(4-bromobutoxy)quinolin-2(1H)-one (203395-59-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1007/s12039-018-1470-z

Reference yield: 86.5%

1,4-dibromo-butane (110-52-1) + 7-hydroxy-1H-quinolin-2-one (70500-72-0) → 7–(4-bromobutoxy)quinolin-2(1H)-one (203395-59-9)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 3h; Reflux;

Reference yield:

7-(4-bromobutoxy)-2H-chromen-2-one (37783-33-8) → 7–(4-bromobutoxy)quinolin-2(1H)-one (203395-59-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; at 95 ℃; for 2h;

upstream raw materials:

1,4-dibromo-butane

7-hydroxy-1H-quinolin-2-one

7-(4-bromobutoxy)-3,4-dihydro-2(1H)-quinolinone

m-Anisidine

Downstream raw materials:

OPC 14857

7-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butoxy)quinolin-2(1H)-one

7-(4-(4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl)butoxy)quinolin-2(1H)-one

7-(4-(4-(2-ethoxyphenyl)-1,4-diazepan-1-yl)butoxy)quinolin-2(1H)-one