2-(Quinolin-2-yl)malonaldehyde

Base Information

• Chemical Name: 2-(Quinolin-2-yl)malonaldehyde
• CAS No.: 40070-84-6
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.209
• Hs Code.: 2933499090
• European Community (EC) Number: 640-705-6
• DSSTox Substance ID: DTXSID10371950
• Wikidata: Q82159510
• Mol file: 40070-84-6.mol

Synonyms:40070-84-6;2-(2-Quinolyl)malondialdehyde;2-(Quinolin-2-yl)malonaldehyde;2-quinolin-2-ylpropanedial;2-(quinolin-2-yl)propanedial;2-quinolinylmalonaldehyde;SCHEMBL2557489;DTXSID10371950;2-(quinolin-2-yl)malondialdehyde;MFCD01569245;AKOS006220961;FS-4566;SB67532;CS-0270314;FT-0676476;EN300-77696;A873490

Chemical Property of 2-(Quinolin-2-yl)malonaldehyde

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Melting Point: 198-202 °C
• Refractive Index: 1.62
• Boiling Point: 335.7°C at 760 mmHg
• Flash Point: 161.1°C
• PSA: 47.03000
• Density: 1.233g/cm³
• LogP: 1.71620
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Quinolyl)malondialdehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Quinolin-2-yl)malonaldehyde

There total 3 articles about 2-(Quinolin-2-yl)malonaldehyde 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: 40.0%

2-(quinolin-2-yl)propane-1,3-diol (779-32-8) → 2-(2-quinolinyl)malondialdehyde (40070-84-6)

Guidance literature:

With sulfur trioxide pyridine complex; triethylamine; In dichloromethane; dimethyl sulfoxide; at 0 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b00152

Reference yield:

2-methylquinoline (91-63-4) → 2-(2-quinolinyl)malondialdehyde (40070-84-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 7 h / 130 °C

2: triethylamine; sulfur trioxide pyridine complex / dichloromethane; dimethyl sulfoxide / 2 h / 0 °C

With sulfur trioxide pyridine complex; triethylamine; In dichloromethane; dimethyl sulfoxide;

DOI:10.1021/acs.jmedchem.5b00152

Reference yield:

→ 2-(2-quinolinyl)malondialdehyde (40070-84-6)

Guidance literature:

(III, X: -CH=CH-), H2O;

upstream raw materials:

2-methylquinoline

2-(quinolin-2-yl)propane-1,3-diol

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