Pyrimido[1,2-a]indole

Base Information

• Chemical Name: Pyrimido[1,2-a]indole
• CAS No.: 245-46-5
• Molecular Formula: C11H8N2
• Molecular Weight: 168.198
• DSSTox Substance ID: DTXSID40521547
• Wikidata: Q82386081
• Mol file: 245-46-5.mol

Synonyms:Pyrimido[1,2-a]indole;245-46-5;SCHEMBL6260887;DTXSID40521547

Chemical Property of Pyrimido[1,2-a]indole

Chemical Property:

• Melting Point: 144-145 °C(Solv: hexane (110-54-3))
• Boiling Point: 275.6±22.0 °C(Predicted)
• PSA: 17.30000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.48750
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Pyrimido[1,2-a]indole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3N2C=CC=N3

Technology Process of Pyrimido[1,2-a]indole

There total 1 articles about Pyrimido[1,2-a]indole 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: 17.0%

2-Benzyl-pyrimidine 1-oxide (90210-54-1) → PYRIMIDINE (289-95-2,25247-63-6) + 2-methylpyrimidine (5053-43-0) + benzyl-pyrimidine (90210-57-4) + pyrimido[1,2-a]indole (245-46-5)

Guidance literature:

at 800 ℃; under 0.0001 - 0.0006 Torr;

DOI:10.1055/s-1983-30619

upstream raw materials:

2-Benzyl-pyrimidine 1-oxide

Refernces

Temperature-gradient-directed NMR monitoring of a [3 + 3]-cyclocondensation reaction between alkynone and ethyl 2-amino-1 H-indole-3-carboxylate toward the synthesis of pyrimido[1,2-a]indole catalyzed by Cs₂CO₃

10.1080/00397911.2012.687423

The research focuses on the synthesis of pyrimido[1,2-a]indole through a [3+3]-cyclocondensation reaction between alkynone and ethyl 2-amino-1H-indole-3-carboxylate, catalyzed by Cs2CO3. The main content involves the use of temperature-gradient-directed NMR monitoring to observe the real-time chemical reaction, which is a noninvasive technique allowing for the optimization of reaction conditions and quantitative analysis of the product. The reactants used in the experiments include ethyl 2-amino-1H-indole-3-carboxylates (1), 1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-one (2), and the catalyst Cs2CO3. The analyses conducted encompassed NMR spectroscopy, high-resolution magic angle spinning (HR-MAS) NMR, and high-performance liquid chromatography (HPLC) to characterize the products and monitor the reaction progress.

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