2-Propylquinoxaline

Base Information

• Chemical Name: 2-Propylquinoxaline
• CAS No.: 81516-60-1
• Molecular Formula: C11H12N2
• Molecular Weight: 172.22600
• DSSTox Substance ID: DTXSID30534580
• Wikidata: Q82408485
• Mol file: 81516-60-1.mol

Synonyms:2-Propylquinoxaline;81516-60-1;2-(1-propyl)quinoxaline;SCHEMBL9971272;DTXSID30534580;VOJMHHWAAIBCJJ-UHFFFAOYSA-N

Chemical Property of 2-Propylquinoxaline

Chemical Property:

• PSA: 25.78000
• LogP: 2.58230
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC2=CC=CC=C2N=C1

Technology Process of 2-Propylquinoxaline

There total 10 articles about 2-Propylquinoxaline 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: 80.0%

1,2-pentanediol (5343-92-0) + 1,2-diamino-benzene (95-54-5) → 2-(1-propyl)quinoxaline (81516-60-1)

Guidance literature:

In diethylene glycol dimethyl ether; at 140 ℃; for 24h;

DOI:10.1016/j.jcat.2012.05.002

Reference yield: 70.0%

tripentylamine (621-77-2) + 1,2-diamino-benzene (95-54-5) → 2-(1-propyl)quinoxaline (81516-60-1)

Guidance literature:

With oxygen; ferric nitrate; In dimethyl sulfoxide; for 48h; Irradiation;

Reference yield: 70.0%

2-chloroquinoxaline (1448-87-9) + n-propylmagnesium bromide (927-77-5) → 2-(1-propyl)quinoxaline (81516-60-1)

Guidance literature:

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

DOI:10.1021/ol2029096

upstream raw materials:

ethyl 11-methyl-10,13-dioxohexadec-11-enoate

1,2-diamino-benzene

1-chloro-1-benzamido-2-pentanone

2-chloroquinoxaline

Downstream raw materials:

2-propyltetrahydroquinoxaline

Refernces

• 1、 -. "Method for synthesizing quinoxaline compound under visible light induced iron catalysis condition". Paragraph 0042-0047. . Retrieved 2021/07/10.
• 2、 Liu, Xing-Yu,Tan, Yun-Xuan,Wang, Xin,Xu, Hao,Wang, Yu-Hui,Tian, Ping,Lin, Guo-Qiang. "Nickel(ii)-catalyzed addition of aryl-, alkenyl-, and alkylboronic acids to alkenylazaarenes". supporting information. p. 4038 - 4042. Retrieved 2020/05/18.