1-(4-Phenoxybut-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline

Base Information

• Chemical Name: 1-(4-Phenoxybut-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline
• CAS No.: 112276-18-3
• Molecular Formula: C19H19NO
• Molecular Weight: 277.366
• DSSTox Substance ID: DTXSID10549233
• Wikidata: Q82428217

Synonyms:112276-18-3;1-(4-Phenoxybut-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline;DTXSID10549233

Chemical Property of 1-(4-Phenoxybut-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 277.146664230
• Heavy Atom Count: 21
• Complexity: 374

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2N(C1)CC#CCOC3=CC=CC=C3

Technology Process of 1-(4-Phenoxybut-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline

There total 1 articles about 1-(4-Phenoxybut-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline 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: 70.0%

1,2,3,4-tetrahydroisoquinoline (635-46-1) + 1-chloro-4-phenoxybut-2-yne (90797-91-4) → 1-(4-Phenoxy-but-2-ynyl)-1,2,3,4-tetrahydro-quinoline (112276-18-3)

Guidance literature:

With potassium carbonate; In acetone; for 12h; Heating;

DOI:10.1039/P19890001285

Reference yield: 30.0%

1-(4-Phenoxy-but-2-ynyl)-1,2,3,4-tetrahydro-quinoline (112276-18-3) → C37H34N2O2 (112276-19-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1039/P19890001285

Reference yield:

1-(4-Phenoxy-but-2-ynyl)-1,2,3,4-tetrahydro-quinoline (112276-18-3) → 1-Methylene-2-phenoxymethyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-2-ol (112276-20-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 5 ℃; for 1.75h;

DOI:10.1039/P19890001285

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

1-chloro-4-phenoxybut-2-yne

Downstream raw materials:

1-Methylene-2-phenoxymethyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-2-ol

C₃₇H₃₄N₂O₂

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