5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one

Base Information

• Chemical Name: 5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one
• CAS No.: 5220-39-3
• Molecular Formula: C₁₄H₁₅NO
• Molecular Weight: 213.279
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80200243
• Nikkaji Number: J75.310F
• Wikidata: Q83073303
• ChEMBL ID: CHEMBL1530234
• Mol file: 5220-39-3.mol

Synonyms:5220-39-3;5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one;5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one;11H-CYCLOHEPTA(b)QUINOLIN-11-ONE, 5,6,7,8,9,10-HEXAHYDRO-;BRN 1529222;7,8,9,10-Tetrahydro-6H-cyclohepta(b)quinolin-11-one;7,8,9,10-Tetrahydro-5H-cyclohepta[b]quinolin-11(6H)-one;5,6,7,8,9,10-Hexahydro-11H-cyclohepta(b)quinolin-11-one;5,6,7,8,9,10-hexahydro-11H-cyclohepta[b]quinolin-11-one;CDS1_003839;CBMicro_017343;Cambridge id 5947677;Oprea1_028953;Oprea1_773975;MLS000856568;DivK1c_004879;CHEMBL1530234;DTXSID80200243;LDMBBNQWWBTULE-UHFFFAOYSA-N;HMS1682C08;HMS2765E12;CCG-13396;STK861265;AKOS000301740;NCGC00245482-01;LS-56120;SMR000274925;BIM-0017480.P001;CS-0322993;FT-0635581

Chemical Property of 5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one

Chemical Property:

• Vapor Pressure: 1.66E-05mmHg at 25°C
• Boiling Point: 364.6°Cat760mmHg
• Flash Point: 147.9°C
• PSA: 32.86000
• Density: 1.17g/cm³
• LogP: 2.79700
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 332

Purity/Quality:

98%min ^*data from raw suppliers

5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(CC1)NC3=CC=CC=C3C2=O

Technology Process of 5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one

There total 2 articles about 5,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-one 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: 76.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + cycloheptanone (502-42-1) → 2,3-Pentamethylen-4-chinolon (5220-39-3)

Guidance literature:

In xylene; at 140 ℃; for 15h;

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

Reference yield:

→ 2,3-Pentamethylen-4-chinolon (5220-39-3)

Guidance literature:

o-Aminobenzoesaeure, Cycloheptanon;

DOI:10.1021/jm00308a055

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

upstream raw materials:

anthranilic acid

cycloheptanone

Downstream raw materials:

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

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