5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester

Base Information

• Chemical Name: 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester
• CAS No.: 134378-94-2
• Molecular Formula: C12H11NO3
• Molecular Weight: 217.224
• DSSTox Substance ID: DTXSID80354578
• Nikkaji Number: J3.119.866F
• Wikidata: Q82132807
• Mol file: 134378-94-2.mol

Synonyms:134378-94-2;5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester;methyl 3-(4-methylphenyl)-5-isoxazolecarboxylate;methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate;Methyl 3-(p-tolyl)isoxazole-5-carboxylate;SCHEMBL8880347;DTXSID80354578;DQKLNXNTMSKHBC-UHFFFAOYSA-N;HMS1692B12;STL356209;AKOS000672278;3-(4-methylphenyl)-5-methoxycarbonylisoxazole;3-(4-methylphenyl) -5-methoxycarbonylisoxazole;Z793500558

Chemical Property of 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.07389321
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)OC

Technology Process of 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester

There total 4 articles about 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester 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: 87.0%

methanol (67-56-1) + C11H8NO3Pol → methyl 3-(4-methylphenyl)isoxazole-5-carboxylate (134378-94-2)

Guidance literature:

With sodium methylate; at 70 ℃; for 18h; Wang resin

DOI:10.1002/hc.21035

Reference yield: 86.0%

C25H20NO4Pol → methyl 3-(4-methylphenyl)isoxazole-5-carboxylate (134378-94-2)

Guidance literature:

With sodium methylate; In tetrahydrofuran; methanol; at 70 ℃; for 18h; solid phase reaction;

DOI:10.1080/00397911.2011.580641

Reference yield: 65.0%

p-methylbenzaldehyde oxime (3235-02-7,3717-15-5,3717-16-6,140461-26-3,140461-27-4) + propynoic acid methyl ester (922-67-8) → methyl 3-(4-methylphenyl)isoxazole-5-carboxylate (134378-94-2)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In water; acetonitrile; at 0 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2015.10.038

upstream raw materials:

N-hydroxy-4-methylbenzenecarboximidoyl chloride

propynoic acid methyl ester

methanol

p-methylbenzaldehyde oxime

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 134378-94-2 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send