1-Methyl-4-(tributylstannyl)-1H-pyrazole

Base Information

• Chemical Name: 1-Methyl-4-(tributylstannyl)-1H-pyrazole
• CAS No.: 179055-21-1
• Molecular Formula: C16H32N2Sn
• Molecular Weight: 371.153
• European Community (EC) Number: 621-950-8
• DSSTox Substance ID: DTXSID00441919
• Wikidata: Q72491858
• Mol file: 179055-21-1.mol

Synonyms:1-METHYL-4-(TRIBUTYLSTANNYL)-1H-PYRAZOLE;179055-21-1;Tributyl-(1-methylpyrazol-4-yl)stannane;1-methyl-4-tributylstannylpyrazole;SCHEMBL2356296;DTXSID00441919;LNECVNPGDBLIEM-UHFFFAOYSA-N;1-Methyl-4-tributylstannyl-1H-pyrazole;1-methyl-4-tributylstannanyl-1H-pyrazole;FT-0725176;EN300-7220176;1-Methyl-4-(tributylstannyl)-1H-pyrazole, 97%

Chemical Property of 1-Methyl-4-(tributylstannyl)-1H-pyrazole

Chemical Property:

• Refractive Index: n20/D1.563
• Boiling Point: 126-128°C
• PKA: 2.25±0.10(Predicted)
• Flash Point: 149℃
• PSA: 3.24000
• Density: 1.135 g/mL at 25 °C
• LogP: 4.06080
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 372.158752
• Heavy Atom Count: 19
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-4-(tributylstannyl)-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN(N=C1)C

Technology Process of 1-Methyl-4-(tributylstannyl)-1H-pyrazole

There total 2 articles about 1-Methyl-4-(tributylstannyl)-1H-pyrazole 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: 36.87%

4-bromo-1-methyl-1H-pyrazole (15803-02-8) + tributyltin chloride (1461-22-9) → 1-methyl-4-tributylstannanyl-1H-pyrazole (179055-21-1)

Guidance literature:

4-bromo-1-methyl-1H-pyrazole; With n-butyllithium; In tetrahydrofuran; at -20 - -10 ℃; for 0.333333h; Inert atmosphere;

tributyltin chloride; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

→ 1-methyl-4-tributylstannanyl-1H-pyrazole (179055-21-1)

Guidance literature:

at 20 ℃;

Reference yield: 95.0%

4-tolyl iodide (624-31-7) + 1-methyl-4-tributylstannanyl-1H-pyrazole (179055-21-1) → 1-methyl-4-(4-methylphenyl)-1H-pyrazole (37921-11-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; cesium fluoride; tri tert-butylphosphoniumtetrafluoroborate; In 1-methyl-pyrrolidin-2-one; at 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.5b06587

upstream raw materials:

4-bromo-1-methyl-1H-pyrazole

tributyltin chloride

Downstream raw materials:

3-(1-methyl-1H-pyrazol-4-yl)benzaldehyde

4-(1-methyl-1H-pyrazol-4-yl)benzaldehyde

3-{1-[3-(tert-butyl-diphenyl-silanyloxy)-propyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}-4-(1-methyl-1H-pyrazol-4-yl)-pyrrole-2,5-dione

1-benzyl-5-hydroxy-3-(1-methyl-1H-pyrazol-4-yl)-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carboxylic acid methyl ester