Etimizol

Base Information

• Chemical Name: Etimizol
• CAS No.: 64-99-3
• Molecular Formula: C9H14 N4 O2
• Molecular Weight: 210.23
• Hs Code.: 2934999090
• UNII: NG2MF3646P
• DSSTox Substance ID: DTXSID30213984
• Nikkaji Number: J21.209A
• Wikidata: Q4532989
• ChEMBL ID: CHEMBL4303294
• Mol file: 64-99-3.mol

Synonyms:Aethimizole;Ethimizol;Ethimizole;Ethylnorantifeine;Ethymisole;Ethymizol;Etimizol

Chemical Property of Etimizol

Chemical Property:

• Melting Point: 143-144℃
• Boiling Point: 563.4±35.0 °C(Predicted)
• PKA: 14.22±0.46(Predicted)
• Flash Point: 294.5oC
• PSA: 83.00000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 0.77180
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.11167570
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

Etimizol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=NC(=C1C(=O)NC)C(=O)NC

Technology Process of Etimizol

There total 1 articles about Etimizol 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:

→ 1 ethyl 4,5 bis(methylcarbamoyl)imidazole (64-99-3)

Guidance literature:

Imidazol-4,5-dicarbonsaeure-dimethylester, Me., 1) Natriummethylat, 2) Ethylbromid, 3) Methylamin in W.;

Reference yield: 74.2%

Ethyl benzenesulfonate (515-46-8) + 1 ethyl 4,5 bis(methylcarbamoyl)imidazole (64-99-3) → 1,3-diethyl-4,5-bis(N-methylcarbamoyl)imidazolium benzenesulfonate

Guidance literature:

at 120 ℃; for 3h;

Refernces

UNEXPECTED REGIOSPECIFICITY IN PHOTOCHEMICAL α-CLEAVAGE OF HYDRINDANONES.

10.1016/S0040-4039(01)91553-9

The research investigates the unexpected regiospecificity in the photochemical α-cleavage of hydrindanones derived from triterpenes. The study focuses on the photolysis of trans- and cis-hydrindanones, specifically compounds like 22,29,30-trinorhopan-21-one and 22,29,30-trinor-(17aH)-hopan-21-one in the hopane series, and analogous compounds in the lupane series. The trans-hydrindanones were found to cleave predominantly on the least substituted side of the carbonyl group, yielding unsaturated aldehydes, while the cis-hydrindanones cleaved on the more highly substituted side, resulting in methyl esters. The regiospecificity was shown to be strictly stereochemistry-dependent. The chemicals involved in the research include the starting materials such as hopane and lupane precursors, solvents like degassed anhydrous methanol, and the reaction products like unsaturated aldehydes and methyl esters. The study utilized techniques such as capillary gas chromatography and GC-mass spectrometry for analysis. The findings suggest that pure compounds can be obtained in high yields through this photoinduced cleavage, which could have synthetic applications. Further investigations into the kinetic aspects and quantum efficiencies of these reactions are proposed to elucidate the underlying mechanisms.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 64-99-3 Etimizol

Send

Send

Metric Ton KG G Pound L ML

Send

Send