4-Quinoxalin-2-yl-phenylamine

Base Information

• Chemical Name: 4-Quinoxalin-2-yl-phenylamine
• CAS No.: 81622-74-4
• Molecular Formula: C14H11N3
• Molecular Weight: 221.261
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID001327883
• ChEMBL ID: CHEMBL1718838
• Mol file: 81622-74-4.mol

Synonyms:4-Quinoxalin-2-yl-phenylamine;4-(quinoxalin-2-yl)aniline;81622-74-4;4-quinoxalin-2-ylaniline;4-quinoxalin-2-ylphenylamine;ChemDiv1_021991;MLS001179187;4-(2-quinoxalinyl)phenylamine;CHEMBL1718838;SCHEMBL13495699;HMS649H13;DTXSID001327883;HMS2805I06;4-(2-QUINOXALINYL)ANILINE;STK388257;AKOS000749205;SMR000476596;EU-0038952;SR-01000439251;SR-01000439251-1;F0914-2600

Chemical Property of 4-Quinoxalin-2-yl-phenylamine

Chemical Property:

• PSA: 51.80000
• LogP: 3.46020
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 221.095297364
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

98%min ^*data from raw suppliers

4-Quinoxalin-2-yl-phenylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)N

Technology Process of 4-Quinoxalin-2-yl-phenylamine

There total 9 articles about 4-Quinoxalin-2-yl-phenylamine 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: 90.0%

1,2-diamino-benzene (95-54-5) + 4-aminophenacyl bromide (23442-14-0) → 4-(quinoxalin-2-yl)aniline (81622-74-4)

Guidance literature:

With 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate; at 70 ℃; for 1.25h; Green chemistry;

DOI:10.4067/S0717-97072016000100018

Reference yield: 68.0%

→ 4-(quinoxalin-2-yl)aniline (81622-74-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 3h;

Reference yield: 33.0%

2-chloroquinoxaline (1448-87-9) + 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline (214360-73-3) → 4-(quinoxalin-2-yl)aniline (81622-74-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; water; at 80 ℃; for 12h; Inert atmosphere;

upstream raw materials:

2-(4-nitro-phenyl)-quinoxaline

N-[4-(quinoxalin-2-yl)phenyl]acetamide

N-(4-(2-oxoacetyl)phenyl)acetamide

1,2-diamino-benzene

Downstream raw materials:

N-acetyl-sulfanilic acid-(4-quinoxalin-2-yl-anilide)