Octahydro-4(1h)-quinolinone

Base Information

• Chemical Name: Octahydro-4(1h)-quinolinone
• CAS No.: 58869-89-9
• Molecular Formula: C9H15NO
• Molecular Weight: 153.224
• Hs Code.: 2933499090
• European Community (EC) Number: 675-484-5
• DSSTox Substance ID: DTXSID70389753
• Mol file: 58869-89-9.mol

Synonyms:octahydro-4(1h)-quinolinone;58869-89-9;Octahydro-quinolin-4-one;octahydroquinolin-4(1H)-one;4629-75-8;decahydroquinolin-4-one;2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one;Octahydroquinolin-4(1H)-one hydrochloride;MFCD02734410;Octahydroquinolin-4-one;decahydro-4-quinolone;Oprea1_261816;Oprea1_735195;SCHEMBL1816491;DTXSID70389753;STK315698;Octahydro-quinolin-4-one, AldrichCPR;OCTAHYDROQUINOLINE-4(1H)-ONE;AKOS000307933;TS-02047;CS-0314771;EU-0019570;FT-0681884;EN300-1716885;A869341

Chemical Property of Octahydro-4(1h)-quinolinone

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.482
• Boiling Point: 259.7°C at 760 mmHg
• Flash Point: 111.9°C
• PSA: 29.10000
• Density: 1.014g/cm³
• LogP: 1.43640
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.115364102
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

Octahydro-4(1H)-quinolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)C(=O)CCN2
• Uses: Octahydro-4(1H)-quinolinone is used as pharmaceutical intermediate.

Technology Process of Octahydro-4(1h)-quinolinone

There total 4 articles about Octahydro-4(1h)-quinolinone 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: 98.0%

1-(cyclohex-1-en-1-yl)-3-(dimethylamino)propan-1-one (54924-14-0) → octahydroquinoline-4(1H)-one (58869-89-9)

Guidance literature:

With ammonia; water; In 1,4-dioxane; at 120 ℃; for 16h;

Reference yield:

1-cyclohex-1-enyl-3-diethylamino-propan-1-one (59586-43-5) → oxo-4 trans-decahydroquinoleine (4629-75-8,40010-83-1,54933-74-3,58869-89-9,119433-55-5)

Guidance literature:

With 1,4-dioxane; ammonia; water; at 100 ℃;

DOI:10.1016/S0378-7753(01)00965-X DOI:10.1002/hlca.19750580106

Reference yield:

→ (+/-)-cis-octahydro-quinolin-4-one (4629-75-8,40010-83-1,54933-74-3,58869-89-9,119433-55-5)

Guidance literature:

With potassium; xylene; Erwaermen des Reaktionsgemisches mit wss. Salzsaeure;

upstream raw materials:

1-cyclohex-1-enyl-3-diethylamino-propan-1-one

1-(cyclohex-1-en-1-yl)-3-(dimethylamino)propan-1-one

Downstream raw materials:

(+/-)-1-benzoyl-(4ar,8at)-octahydro-quinolin-4-one

phenylimino-4 trans-decahydroquinoleine

(4aR,8aR)-Decahydro-quinolin-4-yl-p-tolyl-amine

(4aR,8aR)-Decahydro-quinolin-4-yl-(4-methoxy-phenyl)-amine