11-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[B]quinoline

Base Information

• Chemical Name: 11-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[B]quinoline
• CAS No.: 5778-71-2
• Molecular Formula: C₁₄H₁₄ClN
• Molecular Weight: 231.725
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40547000
• Nikkaji Number: J1.282.455F
• Wikidata: Q82424986
• Mol file: 5778-71-2.mol

Synonyms:11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta(b)quinoline

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

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 231.0814771
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

98.5% ^*data from raw suppliers

11-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 6 articles about 11-Chloro-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: 80.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + cycloheptanone (502-42-1) → 10-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[1,2-b]quinoline (5778-71-2)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

DOI:10.1021/acs.jmedchem.5b01119

Reference yield: 76.0%

2,3-Pentamethylen-4-chinolon (5220-39-3) → 10-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[1,2-b]quinoline (5778-71-2)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

DOI:10.1016/S0960-894X(03)00356-1

Reference yield: 11.0%

5,6,7,8,9,10-hexahydrocyclohept[b]indole (2047-89-4) + phenyltrichloromethylmercury (3294-57-3) → 9,9,16-trichloro-8-azatetracyclo[8.5.1.02,7.08,10]-hexadeca-1(16),2,4,6-tetraene + 10-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[1,2-b]quinoline (5778-71-2)

Guidance literature:

In benzene; for 24h; Heating;

DOI:10.1016/j.tet.2006.11.075

upstream raw materials:

anthranilic acid

cycloheptanone

2,3-Pentamethylen-4-chinolon

5,6,7,8,9,10-hexahydrocyclohept[b]indole

Downstream raw materials:

4-Morpholino-2,3-pentamethylenequinoline

4-phenoxy-2,3-(pentamethylene)quinoline

4-(N4-Phenyl-N1-piperazinyl)-2,3-pentamethylenequinoline

4-n-Hexylamino-2,3-pentamethylenequinoline hydrochloride