3-Methyl-4-isoxazolecarboxylic acid

• CAS: 17153-20-7
• Catalog Number: ACM17153207
• Category: Other Products
• Molecular Weight: 127.10
• Molecular Formula: C₅H₅NO₃
• Synonyms: 17153-20-7, 3-Methylisoxazole-4-carboxylic acid, 3-methyl-4-isoxazolecarboxylic acid, 3-methyl-1,2-oxazole-4-carboxylic Acid, 3-Methylisoxazole-4-carboxylicacid, SBB019198, AC1NEBSF, PubChem10465, AC1Q2QAS, SureCN263448, ACMC-1C78I, CTK4D3963, MolPort-000-145-134, 3-Methyl-4-isoxazolecarboxylicacid, AM786, ACT06740, 4-Isoxazolecarboxylicacid,3-methyl-, ANW-49771, STK695175, AKOS003674106
• IUPAC Name: 3-methyl-1,2-oxazole-4-carboxylic acid
• Canonical SMILES: CC1=NOC=C1C(=O)O
• InChI Key: YBLSBWHFPXDRHC-UHFFFAOYSA-N
• Boiling Point: 303.6ºC at 760 mmHg
• Melting Point: 183-190ºC
• Density: 1.348 g/cm³
• Appearance: White solid
• Exact Mass: 127.02700
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Safety Description: S22-S26-S36/37/39

Synthetic Use

Upstream Synthesis Route 1

• 20328-15-8

• 17153-20-7

Reference: [1] Journal of the American Chemical Society, 1967, vol. 89, p. 5461 - 5462
[2] Patent: US6316479, 2001, B1,

Upstream Synthesis Route 2

• 99979-76-7

• 17153-20-7

Reference: [1] Journal of the American Chemical Society, 1967, vol. 89, p. 5461 - 5462
[2] Zhurnal Obshchei Khimii, 1958, vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768

Upstream Synthesis Route 3

• 100367-83-7

• 17153-20-7

Reference: [1] Zhurnal Obshchei Khimii, 1958, vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768