1H-Inden-1-one, 3-hydroxy-2-(2-quinolinyl)-

Base Information

• Chemical Name: 1H-Inden-1-one, 3-hydroxy-2-(2-quinolinyl)-
• CAS No.: 5662-03-3
• Molecular Formula: C28H22Cl2N2O5S
• Molecular Weight: 273.291
• NSC Number: 367957,31293
• DSSTox Substance ID: DTXSID00208544,DTXSID90972060
• Nikkaji Number: J999.185I
• Wikidata: Q82955772,Q83082658
• ChEMBL ID: CHEMBL1594124
• Mol file: 5662-03-3.mol

Synonyms:3-Hydroxy-2-quinolin-2-yl-inden-1-one;5662-02-2;59804-80-7;3-hydroxy-2-(quinolin-2-yl)-1H-inden-1-one;1H-Inden-1-one, 3-hydroxy-2-(2-quinolinyl)-;NSC31293;Indone, 3-hydroxy-2-(2-quinolyl)-;Quinolinium, 1,3-dihydro-1,3-dioxo-2H-inden-2-ylide;3-Hydroxy-2-(2-quinolinyl)-1H-inden-1-one;3-hydroxy-2-(2-quinolyl)inden-1-one;SCHEMBL341087;CHEMBL1594124;SCHEMBL11964734;DTXSID00208544;DTXSID90972060;YHBPQYQLMJZJPI-UHFFFAOYSA-N;NSC 31293;NSC-31293;NSC367957;STL455079;AKOS002378478;AKOS004909998;NSC-367957;2-(1H-Quinolin-2-ylidene)-indan-1,3-dione;SR-01000028505;SR-01000028505-1;Quinolinium,1,3-dihydro-1,3-dioxo-2H-inden-2-ylide;Z56785083

Chemical Property of 1H-Inden-1-one, 3-hydroxy-2-(2-quinolinyl)-

Chemical Property:

• Vapor Pressure: 4.64E-18mmHg at 25°C
• Boiling Point: 674.6°Cat760mmHg
• Flash Point: 361.8°C
• Density: 1.42g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 273.078978594
• Heavy Atom Count: 21
• Complexity: 470

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=CC=CC=C4C3=O)O

Technology Process of 1H-Inden-1-one, 3-hydroxy-2-(2-quinolinyl)-

There total 10 articles about 1H-Inden-1-one, 3-hydroxy-2-(2-quinolinyl)- 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: 97.0%

2-methylquinoline (91-63-4) + phthalic anhydride (85-44-9) → 2-(1H-quinolin-2-ylidene)-indan-1,3-dione (5662-03-3)

Guidance literature:

With silica gel; for 0.0333333h; microwave irradiation;

DOI:10.3390/70200135

Reference yield:

2-methylquinoline (91-63-4) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 2-(1H-quinolin-2-ylidene)-indan-1,3-dione (5662-03-3)

Guidance literature:

With phosphoric acid; nitrobenzene; auf Siedtemperatur;

DOI:10.1021/jo01097a012

Reference yield:

→ 2-(1H-quinolin-2-ylidene)-indan-1,3-dione (5662-03-3)

Guidance literature:

With hydrogenchloride; at 170 - 180 ℃;

upstream raw materials:

2-methylquinoline

phthalic anhydride

Diethyl phthalate

benzene-1,2-dicarboxylic acid

Downstream raw materials:

quinoline-2-carboxylic acid

benzene-1,2-dicarboxylic acid

2-methylquinoline

quinoline 2-carbaldehyde

Refernces

• 1、 Loghmani-Khouzani, Hossein,Sadeghi, Majid M.,Safari. "Silica gel catalyzed synthesis of quinophthalone pigments under solvent-free conditions using microwave irradiation". . p. 135 - 139. Retrieved 2007/10/03.
• 2、 Masiala-Tsobo, C.,Gelbcke, M.,Dumont, L.,Parmentier, F.,Grimee, R.. "ISOLEMENT PAR CHROMATOGRAPHIE LIQUIDE A HAUTE PERFORMANCE PREPARATIVE D'APPARIEMENT D'IONS ET IDENTIFICATION DES CONSTITUANTS MAJEURS DU JAUNE DE QUINOLEINE (C.I.47005)". . p. 227 - 236. Retrieved 2007/10/02.