2,3-dihydro-1H-quinolin-4-one

Base Information

• Chemical Name: 2,3-dihydro-1H-quinolin-4-one
• CAS No.: 4295-36-7
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• DSSTox Substance ID: DTXSID30276195
• Nikkaji Number: J291.089F
• Wikidata: Q72466190
• Metabolomics Workbench ID: 183734
• ChEMBL ID: CHEMBL4584531
• Mol file: 4295-36-7.mol

Synonyms:2,3-dihydroquinolin-4(1H)-one

Chemical Property of 2,3-dihydro-1H-quinolin-4-one

Chemical Property:

• Vapor Pressure: 0.00108mmHg at 25°C
• Melting Point: 44 °C
• Refractive Index: 1.564
• Boiling Point: 301 °C at 760 mmHg
• PKA: 2.68±0.20(Predicted)
• Flash Point: 142.8 °C
• PSA: 29.10000
• Density: 1.142 g/cm³
• LogP: 1.82290
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dihydro-1H-quinolin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=CC=CC=C2C1=O
• Uses: 2,3-Dihydro-1H-quinolin-4-one is a beta-adrenergic blocking agents.

Technology Process of 2,3-dihydro-1H-quinolin-4-one

There total 40 articles about 2,3-dihydro-1H-quinolin-4-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: 98.0%

1-phenylazetidin-2-one (5099-95-6) → 2,3-dihydroquinolin-4(1H)-one (4295-36-7)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 0 - 18 ℃; for 1h; Inert atmosphere;

DOI:10.1071/CH10465

Reference yield: 95.0%

1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-4-quinolinone (179898-00-1) → 2,3-dihydroquinolin-4(1H)-one (4295-36-7)

Guidance literature:

In acetonitrile; at 300 ℃; under 75007.5 Torr;

DOI:10.1021/acs.orglett.6b00378

Reference yield: 90.0%

3-(phenylsulfonyl)-2,3-dihydroquinolin-4(1H)-one → 2,3-dihydroquinolin-4(1H)-one (4295-36-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; at 130 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1246/cl.160772

upstream raw materials:

4-oxo-1,2,3,4-tetrahydro-quinoline-3-carboxylic acid methyl ester

methyl 3-(o-methoxycarbonylanilino)propionate

1-tosyl-2,3-dihydroquinolin-4(1H)-one

1-phenylazetidin-2-one

Downstream raw materials:

3-benzylidene-2,3-dihydro-1H-quinolin-4-one

3-veratryl-quinolin-4-ol

N-phenethylquinolin-4-amine

2,3-dihydro-1H-quinolin-4-one-(2,4-dinitro-phenylhydrazone)