(5-Methyl-isoxazol-3-yloxy)-acetic acid

Base Information

• Chemical Name: (5-Methyl-isoxazol-3-yloxy)-acetic acid
• CAS No.: 56674-48-7
• Molecular Formula: C6H7NO4
• Molecular Weight: 157.12408
• Hs Code.: 2934999090
• European Community (EC) Number: 819-714-6
• Mol file: 56674-48-7.mol

Synonyms:56674-48-7;(5-METHYL-ISOXAZOL-3-YLOXY)-ACETIC ACID;2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic Acid;2-((5-methylisoxazol-3-yl)oxy)acetic acid;[(5-methylisoxazol-3-yl)oxy]acetic acid;SCHEMBL8846694;GAMRWZRZSQLJTA-UHFFFAOYSA-N;HMS1767H11;5-methyl-3-isoxazolyloxyacetic acid;MFCD06655570;(5-methylisoxazol-3-yl)oxyacetic acid;AKOS000118326;2-((5-methylisoxazol-3-yl)oxy)aceticacid;CS-0453662;EN300-12929;Z89264912

Chemical Property of (5-Methyl-isoxazol-3-yloxy)-acetic acid

Chemical Property:

• PSA: 72.56000
• LogP: 0.44640
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 157.03750770
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

2-[(5-methyl-1,2-oxazol-3-yl)oxy]aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)OCC(=O)O

Technology Process of (5-Methyl-isoxazol-3-yloxy)-acetic acid

There total 1 articles about (5-Methyl-isoxazol-3-yloxy)-acetic acid 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: 48.0%

(5-Methyl-isoxazol-3-yloxy)-acetic acid ethyl ester (78734-11-9) → 5-methylisoxazol-3-oxy acetic acid (56674-48-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1080/10426500212244

Reference yield: 74.0%

2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}-ethanone (757192-82-8) + 5-methylisoxazol-3-oxy acetic acid (56674-48-7) → (5-methylisoxazol-3-yloxy)acetic acid 2-[2,5-dimethyl-1-(4-trifluoromethoxyphenyl)-1H-pyrrol-3-yl]-2-oxoethyl ester (1222979-20-5)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 45 - 50 ℃; for 4h;

DOI:10.3390/molecules15020997

Reference yield:

5-methylisoxazol-3-oxy acetic acid (56674-48-7) → (5-methyl-isoxazol-3-yloxy)-acetic acid (methoxy-methyl-phosphinoyl)-phenyl-methyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / thionyl chloride

2: NEt₃ / 20 °C

With thionyl chloride; triethylamine;

DOI:10.1080/10426500212244

upstream raw materials:

(5-Methyl-isoxazol-3-yloxy)-acetic acid ethyl ester

Downstream raw materials:

(5-methylisoxazol-3-yloxy)acetic acid 2-[2,5-dimethyl-1-(4-trifluoromethoxyphenyl)-1H-pyrrol-3-yl]-2-oxoethyl ester

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