2-Phenylquinoline

Base Information

• Chemical Name: 2-Phenylquinoline
• CAS No.: 612-96-4
• Molecular Formula: C15H11 N
• Molecular Weight: 205.259
• Hs Code.: 2933499090
• European Community (EC) Number: 210-326-7
• NSC Number: 118137
• DSSTox Substance ID: DTXSID30210115
• Nikkaji Number: J101.652K
• Wikidata: Q21099120
• Metabolomics Workbench ID: 143538
• ChEMBL ID: CHEMBL89786
• Mol file: 612-96-4.mol

Synonyms:2-phenylquinoline

Chemical Property of 2-Phenylquinoline

Chemical Property:

• Appearance/Colour: White to pale yellow powder.
• Vapor Pressure: 3.89E-05mmHg at 25°C
• Melting Point: 82-84 ºC
• Refractive Index: 1.6550 (estimate)
• Boiling Point: 363 ºC
• PKA: 4.52±0.10(Predicted)
• Flash Point: 159.1°C
• PSA: 12.89000
• Density: 1.127g/cm³
• LogP: 3.90180
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 205.089149355
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

2-Phenylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2
• Description: 2-Phenylquinoline is the major quinoline alkaloid of Galipea iongiflora, a Bolivian plant used as treatment for cutaneous leishmaniasis. Antinociceptive properties of 2-phenylquinoline isolated from the bark of Galipea iongiflora against different models of pain in mice were evaluated.
• Uses: 2-Phenylquinoline was used in quantitative structure-activity relationship (QSAR) analyses of estrogen receptor β-selective ligands.

Technology Process of 2-Phenylquinoline

There total 450 articles about 2-Phenylquinoline 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: 99.0%

2-Aminobenzyl alcohol (5344-90-1) + acetophenone (98-86-2) → 2-Phenylquinoline (612-96-4)

Guidance literature:

With benzophenone; potassium tert-butylate; In 1,4-dioxane; at 90 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jo801678n

Reference yield: 99.0%

2-Chloroquinoline (612-62-4) + phenylmagnesium bromide (100-58-3) → 2-Phenylquinoline (612-96-4)

Guidance literature:

With (IPr)Ni(π-allyl)Cl; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol302112q

Reference yield: 98.0%

quinolin-2-yl 4-nitrobenzenesulfonate + phenylboronic acid (98-80-6) → 2-Phenylquinoline (612-96-4)

Guidance literature:

With potassium phosphate; palladium diacetate; XPhos; In tetrahydrofuran; at 80 ℃; for 20h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2016.02.061

upstream raw materials:

1,4-dioxane

quinoline

diethyl ether

pyridine

Downstream raw materials:

2-phenylquinoline 1-oxide

2-phenyl-4-quinolinecarbonitrile

2-phenyl-1,2,3,4-tetrahydroquinoline

2,2-Diphenyl-1,2-dihydrochinolin

Refernces

Zinc-Catalyzed N-Alkylation of Aromatic Amines with Alcohols: A Ligand-Free Approach

10.1002/adsc.202000499

The study presents a zinc-catalyzed N-alkylation reaction of aromatic amines using alcohols as alkylating agents in a ligand-free approach. The primary chemicals used include various aniline derivatives, aliphatic, aromatic, and heteroaromatic alcohols, and zinc nitrate hexahydrate (Zn(NO3)2.6H2O) as the catalyst. The purpose of these chemicals is to achieve an efficient and environmentally benign method for synthesizing N-alkylated amines, which are valuable compounds in pharmaceuticals, agrochemicals, and catalysis. The study demonstrates good to excellent yields of monoalkylated products and extends the application to the synthesis of a 2-phenylquinoline derivative and C-alkylation of ketones. Deuterium labeling experiments suggest the reaction proceeds via a borrowing hydrogen process.

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