11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

Base Information

• Chemical Name: 11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
• CAS No.: 7163-54-4
• Molecular Formula: C₂₀H₁₉NO
• Molecular Weight: 289.377
• DSSTox Substance ID: DTXSID00221874
• Nikkaji Number: J48.597G
• Wikidata: Q83099895
• Mol file: 7163-54-4.mol

Synonyms:7163-54-4;11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline;BRN 1484687;4-Phenoxy-2,3-pentamethylenequinoline;6H-CYCLOHEPTA(b)QUINOLINE, 7,8,9,10-TETRAHYDRO-11-PHENOXY-;7,8,9,10-Tetrahydro-11-phenoxy-6H-cyclohepta(b)quinoline;5-21-03-00529 (Beilstein Handbook Reference);C20H19NO;6H-Cyclohepta[b]quinoline, 7,8,9,10-tetrahydro-11-phenoxy-;DTXSID00221874;LS-56110

Chemical Property of 11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Melting Point: 128-129 °C
• Boiling Point: 444.4°Cat760mmHg
• PKA: 6.50±0.20(Predicted)
• Flash Point: 159.7°C
• PSA: 22.12000
• Density: 1.148g/cm³
• LogP: 5.29600
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 289.146664230
• Heavy Atom Count: 22
• Complexity: 352

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(C3=CC=CC=C3N=C2CC1)OC4=CC=CC=C4

Technology Process of 11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

There total 2 articles about 11-phenoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]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: 86.0%

10-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[1,2-b]quinoline (5778-71-2) + phenol (108-95-2,27073-41-2) → 4-phenoxy-2,3-(pentamethylene)quinoline (7163-54-4)

Guidance literature:

at 140 ℃; for 24h;

Reference yield:

morpholine (110-91-8,99108-56-2) + 10-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[1,2-b]quinoline (5778-71-2) → 4-Morpholino-2,3-pentamethylenequinoline (5839-57-6) + 4-phenoxy-2,3-(pentamethylene)quinoline (7163-54-4)

Guidance literature:

With phenol; for 20h; Heating;

DOI:10.1021/jm00322a008

upstream raw materials:

morpholine

10-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[1,2-b]quinoline

phenol

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