4-Hydroxybenzo[H]quinoline

Base Information

• Chemical Name: 4-Hydroxybenzo[H]quinoline
• CAS No.: 23443-09-6
• Molecular Formula: C₁₃H₉NO
• Molecular Weight: 195.221
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00597829
• Nikkaji Number: J88.162G
• Wikidata: Q82493478
• Mol file: 23443-09-6.mol

Synonyms:Benzo[h]quinolin-4-ol;23443-09-6;4-HYDROXYBENZO[H]QUINOLINE;1H-benzo[h]quinolin-4-one;4-hydroxy-benzoquinoline;Benzo[h]quinolin-4(1H)-one;SCHEMBL8602672;DTXSID00597829

Chemical Property of 4-Hydroxybenzo[H]quinoline

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Melting Point: 340 °C (decomp)
• Refractive Index: 1.767
• Boiling Point: 420.6°Cat760mmHg
• PKA: 4.55±0.30(Predicted)
• Flash Point: 208.2°C
• PSA: 33.12000
• Density: 1.307g/cm³
• LogP: 3.09360
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.068413911
• Heavy Atom Count: 15
• Complexity: 297

Purity/Quality:

98%Min ^*data from raw suppliers

4-HYDROXYBENZO[H]QUINOLINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2NC=CC3=O

Technology Process of 4-Hydroxybenzo[H]quinoline

There total 9 articles about 4-Hydroxybenzo[H]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: 61.0%

2,2-dimethyl-5-[(naphthalen-1-ylamino)methylene]-1,3-dioxane-4,6-dione (25063-56-3) → benzo[h]quinolin-4(1H)-one (65504-13-4,23443-09-6)

Guidance literature:

In diphenylether; for 1h; Inert atmosphere; Reflux;

DOI:10.1055/s-0028-1083237

Reference yield: 48.0%

2-[(naphthalen-1-ylamino)methylidene]malonic acid diethyl ester (131775-94-5) → benzo[h]quinolin-4(1H)-one (65504-13-4,23443-09-6) + ethyl 4-oxo-1,4-dihydrobenzoquinoline-3-carboxylate (71083-13-1)

Guidance literature:

In tetrahydrofuran; at 390 ℃; under 75007.5 Torr;

DOI:10.1021/acs.joc.6b02520

Reference yield: 46.0%

2-[(naphthalen-1-ylamino)methylidene]malonic acid diethyl ester (131775-94-5) → benzo[h]quinolin-4(1H)-one (65504-13-4,23443-09-6)

Guidance literature:

In tetrahydrofuran; water; at 390 ℃; under 90009 Torr;

DOI:10.1021/acs.joc.6b02520

upstream raw materials:

4-hydroxy-benzo[h]quinoline-3-carboxylic acid

4-hydroxybenzo[h]quinoline-2-carboxylic acid

ethyl 4-hydroxybenzo[h]quinoline-3-carboxylate

4-hydroxy-benzo[h]quinoline-2-carboxylic acid ethyl ester

Downstream raw materials:

benzo[h]quinolin-4-amine