3-Methyl-5-(tributylstannyl)isoxazole

Base Information

• Chemical Name: 3-Methyl-5-(tributylstannyl)isoxazole
• CAS No.: 126085-89-0
• Molecular Formula: C16H31NOSn
• Molecular Weight: 372.138
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70376845
• Wikidata: Q82165747
• Mol file: 126085-89-0.mol

Synonyms:3-METHYL-5-(TRIBUTYLSTANNYL)ISOXAZOLE;126085-89-0;Isoxazole, 3-methyl-5-(tributylstannyl)-;3-Methyl-5-tributylstannanyl-isoxazole;Tributyl-(3-methyl-1,2-oxazol-5-yl)stannane;MFCD01319023;3-methyl-5-(tributylstannyl)-1,2-oxazole;SCHEMBL155450;DTXSID70376845;YYGNJPDQYSBWPH-UHFFFAOYSA-N;BFA08589;BBL103161;STL556971;5-(tributylstannyl)-3-methylisoxazole;AKOS016008934;SY252992;3-methyl-5-(tributylstannanyl)-1,2-oxazole;CS-0433580;FT-0759490;A50080;EN300-651607;A921242

Chemical Property of 3-Methyl-5-(tributylstannyl)isoxazole

Chemical Property:

• Boiling Point: 383.6±44.0 °C(Predicted)
• PKA: -1.40±0.50(Predicted)
• PSA: 26.03000
• LogP: 5.03910
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 373.142767
• Heavy Atom Count: 19
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

3-methyl-5-(tributylstannyl)isoxazole 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C

Technology Process of 3-Methyl-5-(tributylstannyl)isoxazole

There total 3 articles about 3-Methyl-5-(tributylstannyl)isoxazole 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: 99.02%

Nitroethane (79-24-3) + tributylethynyltin (994-89-8) → 3-methyl-5-(tributylstannyl)isoxazole (126085-89-0)

Guidance literature:

With phenyl isocyanate; triethylamine; In benzene; at 50 ℃; for 18h;

DOI:10.1021/jm501913a

Reference yield: 68.0%

Nitroethane (79-24-3) + tributylethynyltin (994-89-8) + m-chlorophenyl isocyanate (2909-38-8) → 3-methyl-5-(tributylstannyl)isoxazole (126085-89-0)

Guidance literature:

Nitroethane; m-chlorophenyl isocyanate; In toluene; at 50 ℃; for 0.166667h;

tributylethynyltin; With triethylamine; In toluene; at 50 ℃;

Reference yield:

tributylethynyltin (994-89-8) + acetonitrile-N-oxide (7063-95-8) → 3-methyl-5-(tributylstannyl)isoxazole (126085-89-0)

Guidance literature:

In not given;

DOI:10.1002/hlca.201100140

upstream raw materials:

Nitroethane

tributylethynyltin

acetonitrile-N-oxide

m-chlorophenyl isocyanate

Downstream raw materials:

5-(2-methoxy-4-nitrophenyl)-3-methylisoxazole

methyl 2-methoxy-4-(3-methylisoxazol-5-yl)benzoate

4-(3-methylisoxazol-5-yl)-6-(3-trifluoromethyl-1-trityl-1H-pyrazol-4-yl)-quinoline

3-Methyl-5-isoxazolyl phenyl ketone