3-ACETYL-6-NITROCOUMARIN

Base Information

• Chemical Name: 3-ACETYL-6-NITROCOUMARIN
• CAS No.: 53653-67-1
• Molecular Formula: C11H7NO5
• Molecular Weight: 233.18
• Hs Code.: 2932209090
• Mol file: 53653-67-1.mol

Synonyms:3-Acetyl-6-nitro-cumarin;2H-1-Benzopyran-2-one,3-acetyl-6-nitro;Coumarin,3-acetyl-6-nitro;6-nitro-3-acetyl-2H-chromen-2-one;3-acetyl-6-nitro-2-H-chromen-2-one;3-acetyl-6-nitro-2-oxochromene;6-Nitro-3-acetyl-cumarin;3-acetyl-6-nitro-coumarin;3-acetyl-6-nitro-2H-1-benzopyran-2-one;

Chemical Property of 3-ACETYL-6-NITROCOUMARIN

Chemical Property:

• PSA: 93.10000
• LogP: 2.42700

Purity/Quality:

97% ^*data from raw suppliers

3-ACETYL-6-NITRO-2-OXO-2H-CHROMENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ACETYL-6-NITROCOUMARIN

There total 7 articles about 3-ACETYL-6-NITROCOUMARIN 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: 96.0%

acetoacetic acid methyl ester (105-45-3) + 5-Nitrosalicylaldehyde (97-51-8) → 3-acetyl-6-nitrocoumarin (53653-67-1)

Guidance literature:

With tert.-butylhydroperoxide; diphenylether; Fe₃O(biphenyl-4,4'-dicarboxylate)₃; In water; N,N-dimethyl-formamide; Heating;

DOI:10.1039/c5cy02191j

Reference yield: 93.0%

ethyl acetoacetate (141-97-9) + 5-Nitrosalicylaldehyde (97-51-8) → 3-acetyl-6-nitrocoumarin (53653-67-1)

Guidance literature:

With zinc oxide nanoparticle; at 120 ℃; for 0.133333h; under 7200.72 Torr; Microwave irradiation; Neat (no solvent);

DOI:10.1007/s12039-011-0133-0

Reference yield: 80.0%

C11H6ClNO5 → 3-acetyl-6-nitrocoumarin (53653-67-1)

Guidance literature:

With copper(l) iodide; potassium carbonate; isopropyl alcohol; at 90 ℃; for 12h; regioselective reaction; Green chemistry;

DOI:10.1002/ejoc.201801385

upstream raw materials:

ethyl acetoacetate

5-Nitrosalicylaldehyde

acetoacetic acid methyl ester

3-amino-1,2,4-triazole

Downstream raw materials:

3-methyl-8-nitro-1-phenylchromeno[4,3-c]pyrazol-4-(1H)-one

Refernces

• 1、 Ngoc Toan, Vu,Dinh Thanh, Nguyen,Minh Tri, Nguyen,Thi Thu Huong, Nguyen. "Synthesis and biological screening of thiosemicarbazones of substituted 3-acetylcoumarins having D-glucose moiety". supporting information. . Retrieved 2020/11/20.
• 2、 Kumar, Gautam,Siva Krishna, Vagolu,Sriram, Dharmarajan,Jachak, Sanjay M.. "Pyrazole–coumarin and pyrazole–quinoline chalcones as potential antitubercular agents". . . Retrieved 2020/06/05.