AKOS PAO-1398

Base Information

• Chemical Name: AKOS PAO-1398
• CAS No.: 893638-47-6
• Molecular Formula: C13H13NO3
• Molecular Weight: 231.251
• Hs Code.: 2934999090
• Mol file: 893638-47-6.mol

Synonyms:AKOS PAO-1398;5-(M-TOLYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER;ethyl 5-M-tolylisoxazole-3-carboxylate

Chemical Property of AKOS PAO-1398

Chemical Property:

• PSA: 52.33000
• LogP: 2.82670

Purity/Quality:

≥99% ^*data from raw suppliers

Ethyl5-(m-tolyl)isoxazole-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of AKOS PAO-1398

There total 11 articles about AKOS PAO-1398 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: 94.0%

nitroacetic acid ethyl ester (626-35-7) + 1-ethynyl-3-methyl-benzene (766-82-5) → ethyl 5-(3-methylphenyl)isoxazole-3-carboxylate (893638-47-6)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; In water; at 60 ℃; for 4h; Green chemistry;

DOI:10.1021/acs.joc.9b01896

Reference yield: 89.0%

nitroacetic acid ethyl ester (626-35-7) + 1-[(E)-2-bromoethenyl]-3-methylbenzene (115665-69-5,115665-62-8) → ethyl 5-(3-methylphenyl)isoxazole-3-carboxylate (893638-47-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; copper(II) oxide; zirconium(IV) oxide; for 1h; Milling;

DOI:10.1002/adsc.202100730

Reference yield: 84.0%

ethyl (Z)-2-fluoro-4-oxo-4-(m-tolyl)but-2-enoate → ethyl 5-(3-methylphenyl)isoxazole-3-carboxylate (893638-47-6)

Guidance literature:

With sodium azide; In acetonitrile; at 80 ℃; for 3h; Schlenk technique;

DOI:10.1016/j.tetlet.2021.153052

upstream raw materials:

dimethyl zinc(II)

ethyl 5-(3-iodophenyl)-isoxazole-3-carboxylate

ethyl 2,4-dioxo-4-m-tolylbutanoate

3-Methylacetophenone

Downstream raw materials:

[5-(3-Methyl-phenyl)-isoxazol-3-yl]-methanol

5-m-tolyl-isoxazole-3-carbaldehyde

2-amino-3-cyano-7-dimethylamino-4-(5-(3-methylphenyl)-isoxazol-3-yl)-4H-chromene

5-(3-methylphenyl)isoxazole-3-carboxylic acid

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