4-Methylisoxazole

Base Information

• Chemical Name: 4-Methylisoxazole
• CAS No.: 6454-84-8
• Molecular Formula: C₄H₅NO
• Molecular Weight: 83.0898
• European Community (EC) Number: 820-421-0
• DSSTox Substance ID: DTXSID70478611
• Wikidata: Q72492325
• Mol file: 6454-84-8.mol

Synonyms:4-Methylisoxazole;6454-84-8;4-methyl-1,2-oxazole;DTXSID70478611;MFCD04118106;AKOS005168605;FT-0696239;4-Amino-1-benzylpiperidine-4-carboxylic?acid;EN300-50357;I11485;Z600428294

Chemical Property of 4-Methylisoxazole

Chemical Property:

• Vapor Pressure: 15.761mmHg at 25°C
• Melting Point: 126-127 °C
• Refractive Index: 1.438
• Boiling Point: 123.898 °C at 760 mmHg
• PKA: -1.68±0.50(Predicted)
• Flash Point: 26.745 °C
• PSA: 26.03000
• Density: 1.017 g/cm³
• LogP: 0.98300
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.037113783
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

99% ^*data from raw suppliers

4-METHYLISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CON=C1

Technology Process of 4-Methylisoxazole

There total 3 articles about 4-Methylisoxazole 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:

1,1,3,3-tetraethoxy-2-methyl-propane (10602-37-6) → 4-methyl-isoxazole (6454-84-8)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1021/jo01343a059

Reference yield:

1-bromo-3,3-diethoxy-2-methyl-propene (93614-84-7,98551-13-4) → 4-methyl-isoxazole (6454-84-8)

Guidance literature:

With hydrogenchloride; hydroxylamine;

Reference yield:

→ 4-methyl-isoxazole (6454-84-8)

Guidance literature:

aus 2-Methyl-1,1,3,3-tetraethoxypropan;

upstream raw materials:

1-bromo-3,3-diethoxy-2-methyl-propene

1,1,3,3-tetraethoxy-2-methyl-propane

Downstream raw materials:

4-(bromomethyl)-1,2-oxazole

4-Dibromomethyl-isoxazole

2-cyanopropionaldehyde