5-Methylisoxazole-3-carbohydrazide

Base Information

• Chemical Name: 5-Methylisoxazole-3-carbohydrazide
• CAS No.: 62438-03-3
• Molecular Formula: C5H7N3O2
• Molecular Weight: 141.129
• Hs Code.: 2934999090
• European Community (EC) Number: 655-159-4
• NSC Number: 306459
• DSSTox Substance ID: DTXSID40316753
• Nikkaji Number: J3.317.435G
• Wikidata: Q82070816
• Mol file: 62438-03-3.mol

Synonyms:5-methylisoxazole-3-carbohydrazide;62438-03-3;5-methyl-1,2-oxazole-3-carbohydrazide;5-Methyl-isoxazole-3-carboxylic acid hydrazide;5-methyl-3-isoxazolecarboxylic acid hydrazide;5-methyl-3-isoxazolecarbohydrazide;5-methylisoxazole-3-carboxylic acid hydrazide;NSC306459;3-isoxazolecarboxylic acid, 5-methyl-, hydrazide;SCHEMBL2827515;DTXSID40316753;BBL016191;MFCD02091279;STK349059;5-methyl-3-isoxazolylcarbonyl hydrazin;AKOS000308300;AB10698;FS-5963;NSC 306459;NSC-306459;5-Methylisoxazole-3-carboxylicacidhydrazide;BB 0254623;FT-0671883;3-Isoxazolecarboxylicacid,5-methyl-,hydrazide;EN300-228486;A833771

Chemical Property of 5-Methylisoxazole-3-carbohydrazide

Chemical Property:

• Refractive Index: 1.534
• PSA: 81.15000
• Density: 1.291 g/cm³
• LogP: 0.67770
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane, Methanol
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.053826475
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-3-isoxazolecarboxylic acid hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37:Wear suitable p

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)C(=O)NN
• Uses: Intermediate in the preparation of GABAA receptor agonists used in antidepressants. As an intermediate in the preparation of GABAA receptor agonists, 5-Methyl-3-isoxazolecarboxylic Acid Hydrazide can be used in antidepressants.

Technology Process of 5-Methylisoxazole-3-carbohydrazide

There total 3 articles about 5-Methylisoxazole-3-carbohydrazide 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: 82.0%

ethyl 5-methylisoxazole-3-carboxylate (3209-72-1) → 5-methylisoxazole-3-carboxylic acid hydrazide (62438-03-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 6h; Heating;

DOI:10.1002/jhet.5570290512

Reference yield: 51.0%

→ 5-methylisoxazole-3-carboxylic acid hydrazide (62438-03-3)

Guidance literature:

Reference yield:

methyl 5-methylisoxazole-3-carboxylate (19788-35-3) → 5-methylisoxazole-3-carboxylic acid hydrazide (62438-03-3)

Guidance literature:

With hydrazine hydrate;

upstream raw materials:

methyl 5-methylisoxazole-3-carboxylate

ethyl 5-methylisoxazole-3-carboxylate

Downstream raw materials:

5-methyl-isoxazole-3-carboxylic acid (4-methoxy-benzylidene)-hydrazide

5-methyl-isoxazole-3-carboxylic acid (3-dimethylamino-benzylidene)-hydrazide

1-biphenyl-4-yl-pentane-1,4-dione bis-[(5-methyl-isoxazole-3-carbonyl)-hydrazone]

5-methyl-isoxazole-3-carboxylic acid (2-dimethylamino-benzylidene)-hydrazide