4-Amino-7-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 4-Amino-7-(trifluoromethyl)quinoline
• CAS No.: 243666-11-7
• Molecular Formula: C10H7F3N2
• Molecular Weight: 212.17
• Hs Code.: 2933499090
• European Community (EC) Number: 670-768-5
• DSSTox Substance ID: DTXSID40371049
• Wikidata: Q72442876
• ChEMBL ID: CHEMBL2393222
• Mol file: 243666-11-7.mol

Synonyms:4-Amino-7-(trifluoromethyl)quinoline;243666-11-7;7-(trifluoromethyl)quinolin-4-amine;4-amino-7-trifluoromethylquinoline;7-trifluoromethyl-quinolin-4-ylamine;4-Amino-7-(trifluromethyl)quinoline;SCHEMBL1980284;CHEMBL2393222;DTXSID40371049;HMS1659J15;AMY10951;BBL028470;MFCD00269411;STK938658;AKOS000271211;AB05513;FS-1082;AC-23703;FT-0644099;A26257;4-Amino-7-(trifluoromethyl)quinoline, AldrichCPR

Chemical Property of 4-Amino-7-(trifluoromethyl)quinoline

Chemical Property:

• Vapor Pressure: 0.000175mmHg at 25°C
• Melting Point: 104 °C
• Refractive Index: 1.588
• Boiling Point: 329.7 °C at 760 mmHg
• PKA: 6.68±0.50(Predicted)
• Flash Point: 153.2 °C
• PSA: 38.91000
• Density: 1.39 g/cm³
• LogP: 3.41700
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 212.05613272
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-7-(trifluoromethyl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-36
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N

Technology Process of 4-Amino-7-(trifluoromethyl)quinoline

There total 3 articles about 4-Amino-7-(trifluoromethyl)quinoline 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: 65.0%

4-azido-7-(trifluoromethyl)quinoline (74227-77-3) → 7-trifluoromethyl-quinolin-4-ylamine (243666-11-7)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2013.04.040

Reference yield: 55.0%

C10H5F3IN (1582788-19-9) → 7-trifluoromethyl-quinolin-4-ylamine (243666-11-7)

Guidance literature:

With (2-hydroxyethyl)(methyl)amine; copper(l) iodide; formamide; at 80 ℃; for 2.5h; Sealed tube;

DOI:10.1039/c4nj00046c

Reference yield:

4-chloro-7-trifluoromethyl quinoline (346-55-4) → 7-trifluoromethyl-quinolin-4-ylamine (243666-11-7)

Guidance literature:

With ammonium chloride; In methanol; at 70 ℃;

upstream raw materials:

4-chloro-7-trifluoromethyl quinoline

4-azido-7-(trifluoromethyl)quinoline

C₁₀H₅F₃IN

Downstream raw materials:

N-tert-butyl-N'-thiazol-2-yl-N''-(7-trifluoromethyl-quinolin-4-yl)-guanidine

Refernces

• 1、 Nsumiwa, Samkele,Kuter, David,Wittlin, Sergio,Chibale, Kelly,Egan, Timothy J.. "Structure-activity relationships for ferriprotoporphyrin IX association and β-hematin inhibition by 4-aminoquinolines using experimental and ab initio methods". . p. 3738 - 3748. Retrieved 2013/07/19.