Isoxazol-5-amine

Base Information

• Chemical Name: Isoxazol-5-amine
• CAS No.: 14678-05-8
• Molecular Formula: C3H4N2O
• Molecular Weight: 84.0776
• Hs Code.: 2934999090
• European Community (EC) Number: 238-720-4
• DSSTox Substance ID: DTXSID2074532
• Nikkaji Number: J47.919E
• Wikidata: Q63408794
• Mol file: 14678-05-8.mol

Synonyms:5-aminoisoxazole

Chemical Property of Isoxazol-5-amine

Chemical Property:

• Vapor Pressure: 0.0523mmHg at 25°C
• Melting Point: 75-77 °C
• Refractive Index: 1.528
• Boiling Point: 234.652 °C at 760 mmHg
• PKA: -1.23±0.50(Predicted)
• Flash Point: 95.714 °C
• PSA: 52.05000
• Density: 1.241 g/cm³
• LogP: 0.83800
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.032362755
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

99% ^*data from raw suppliers

Isoxazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(ON=C1)N

Technology Process of Isoxazol-5-amine

There total 5 articles about Isoxazol-5-amine 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: 29.9%

propiolonitrile (1070-71-9) → 5-isoxazoleamine (14678-05-8)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In methanol; water; at 30 ℃; for 12h;

Reference yield:

3-methoxy-2-propenenitrile (60838-50-8) + hydroxylamine (7803-49-8) → 5-isoxazoleamine (14678-05-8)

Guidance literature:

In water; at 80 ℃; for 3h;

Reference yield:

3-(trimethylsilyloximino)propionitrile → 5-isoxazoleamine (14678-05-8)

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 24h;

DOI:10.1070/MC2002v012n03ABEH001585

upstream raw materials:

2-propynamide

3-methoxy-2-propenenitrile

hydroxylamine

propiolonitrile

Downstream raw materials:

4-(2-cyano-4-(trifluoromethyl)phenyl)-N-(isoxazol-5-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonamide

C₂₀H₁₄ClN₃O₃

Refernces

• 1、 -. "4-0X0QUINAZ0LIN-3-YL BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CYTOKINE DISEASES". Page/Page column 51-52. . Retrieved 2008/06/13.