2-(Isobutyl)quinoxaline

Base Information

• Chemical Name: 2-(Isobutyl)quinoxaline
• CAS No.: 85061-28-5
• Molecular Formula: C12H14 N2
• Molecular Weight: 186.257
• Hs Code.: 2933990090
• European Community (EC) Number: 285-287-2
• DSSTox Substance ID: DTXSID50234116
• Nikkaji Number: J309.645I
• Wikidata: Q83115830
• Mol file: 85061-28-5.mol

Synonyms:2-(Isobutyl)quinoxaline;85061-28-5;2-Isobutylquinoxaline;EINECS 285-287-2;SCHEMBL15508293;DTXSID50234116;AZIKLVKMNRNGPH-UHFFFAOYSA-N

Chemical Property of 2-(Isobutyl)quinoxaline

Chemical Property:

• Vapor Pressure: 0.00921mmHg at 25°C
• Boiling Point: 274.1°C at 760 mmHg
• PKA: 1.32±0.30(Predicted)
• Flash Point: 108.4°C
• PSA: 25.78000
• Density: 1.057g/cm³
• LogP: 2.82830
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=NC2=CC=CC=C2N=C1

Technology Process of 2-(Isobutyl)quinoxaline

There total 4 articles about 2-(Isobutyl)quinoxaline 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: 73.0%

2-chloroquinoxaline (1448-87-9) + isobutylmagnesium bromide (926-62-5) → 2-isobutylquinoxaline (85061-28-5)

Guidance literature:

With iron(II) acetylacetonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol2029096

Reference yield: 52.0%

2,3-diethynylquinoxaline (91-19-0) + 3-methylbutyric acid (503-74-2) → 2-isobutylquinoxaline (85061-28-5) + 2,7-Diisobutyl-quinoxaline

Guidance literature:

With ammonium persulfate; trifluoroacetic acid; silver nitrate; In water; chlorobenzene; for 2h; Heating;

DOI:10.1016/S0040-4020(01)82033-0

Reference yield:

2-chloroquinoxaline (1448-87-9) → 2-isobutylquinoxaline (85061-28-5)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; iron(II) acetylacetonate; In tetrahydrofuran; for 0.5h;

DOI:10.1002/adsc.200900522

upstream raw materials:

2,3-diethynylquinoxaline

3-methylbutyric acid

2-chloroquinoxaline

isobutylmagnesium bromide