Dimethyl-quinolin-4-yl-amine

Base Information

• Chemical Name: Dimethyl-quinolin-4-yl-amine
• CAS No.: 31401-47-5
• Molecular Formula: C11H12 N2
• Molecular Weight: 172.23
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60473054
• Nikkaji Number: J910.293K
• Wikidata: Q82302231
• Mol file: 31401-47-5.mol

Synonyms:31401-47-5;dimethyl-quinolin-4-yl-amine;N,N-dimethylquinolin-4-amine;4-dimethylaminoquinoline;SCHEMBL827779;DTXSID60473054;AKOS006288363;AC-18573

Chemical Property of Dimethyl-quinolin-4-yl-amine

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.651
• Boiling Point: 271.807°C at 760 mmHg
• PKA: 9.40±0.13(Predicted)
• Flash Point: 118.185°C
• PSA: 16.13000
• Density: 1.113g/cm³
• LogP: 2.30080
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

DIMETHYL-QUINOLIN-4-YL-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=NC2=CC=CC=C21

Technology Process of Dimethyl-quinolin-4-yl-amine

There total 1 articles about Dimethyl-quinolin-4-yl-amine 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:

Quinoline N-oxide (1613-37-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + p-toluenesulfonyl chloride (98-59-9) → N,N-dimethylquinolin-2-amine (21154-18-7) + N,N-dimethyl-4-quinolylamine (31401-47-5) + 2-hydroxyquinoline (59-31-4)

Guidance literature:

at 150 ℃;

Reference yield: 24.0%

2-bromo-2,2-difluoro-N-phenyl-acetamide (127427-45-6) + N,N-dimethyl-4-quinolylamine (31401-47-5) → (E)-N,N-dimethyl-2-(phenylimino)-1,2-dihydroquinolin-4-amine

Guidance literature:

With copper(l) iodide; In dimethyl sulfoxide; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c02368

Reference yield:

N,N-dimethyl-4-quinolylamine (31401-47-5) → 2,2,2-trifluoro-1-(4-(phenylthio)quinolin-3-yl)ethanone

Guidance literature:

Multi-step reaction with 2 steps

1: 5,5-dimethyl-1,3-cyclohexadiene / 18 h / Reflux

2: propyl cyanide / toluene / 48 h

With propyl cyanide; In 5,5-dimethyl-1,3-cyclohexadiene; toluene;

DOI:10.3987/COM-12-S(N)73

upstream raw materials:

Quinoline N-oxide

N,N-dimethyl-formamide

p-toluenesulfonyl chloride

Downstream raw materials:

3-trifluoroacetyl-4-dimethylaminopyridine

N,N-dimethyl-3-trifluoroacetylquinolin-4-amine