Quinoline, 3-methyl-4-phenyl-

Base Information

• Chemical Name: Quinoline, 3-methyl-4-phenyl-
• CAS No.: 94934-87-9
• Molecular Formula: C16H13N
• Molecular Weight: 219.286
• DSSTox Substance ID: DTXSID60452622
• Nikkaji Number: J3.417.594B
• Wikidata: Q82273369
• Mol file: 94934-87-9.mol

Synonyms:3-methyl-4-phenylquinoline;Quinoline, 3-methyl-4-phenyl-;3-methyl-4-phenyl-quinoline;94934-87-9;SCHEMBL18104207;DTXSID60452622

Chemical Property of Quinoline, 3-methyl-4-phenyl-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.104799419
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N=C1)C3=CC=CC=C3

Technology Process of Quinoline, 3-methyl-4-phenyl-

There total 21 articles about Quinoline, 3-methyl-4-phenyl- 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: 92.0%

propan-1-ol (71-23-8) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 3‐methyl‐4‐phenylquinoline (94934-87-9)

Guidance literature:

With potassium hydroxide; at 80 ℃; for 7h;

DOI:10.1039/c5ob01422k

Reference yield: 91.0%

4-chloro-3-methylquinoline (63136-60-7) + phenylboronic acid (98-80-6) → 3‐methyl‐4‐phenylquinoline (94934-87-9)

Guidance literature:

With potassium phosphate monohydrate; 2‐(dicyclohexylphosphino)‐N,N‐diisopropyl‐5,6‐dimethyl‐1H‐benzo[d]imidazole‐1‐carboxamide; palladium diacetate; In tetrahydrofuran; at 110 ℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.organomet.0c00816

Reference yield: 90.0%

trans-3-methyl-4-phenyl-tetrahydroquinoline → 3‐methyl‐4‐phenylquinoline (94934-87-9)

Guidance literature:

With [Ru(1,10-phenanthroline-5,6-dione)₃](PF₆)₂; Co(salophen); In acetonitrile; at 27 ℃; for 7h;

DOI:10.1021/ja506546w

upstream raw materials:

carbon monoxide

1-(2'-aminophenyl)-1-phenylprop-2-en-1-ol

(2-aminophenyl)(phenyl)methanone

3-methyl-2-(methylthio)-4-phenylquinoline