Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate
• CAS No.: 126085-91-4
• Molecular Formula: C18H33NO3Sn
• Molecular Weight: 430.175
• Hs Code.: 2934999090
• European Community (EC) Number: 677-924-1
• DSSTox Substance ID: DTXSID30376846
• Wikidata: Q82165749
• Mol file: 126085-91-4.mol

Synonyms:126085-91-4;Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate;Ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate;Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate;ETHYL 5-TRIBUTYLSTANNANYLISOXAZOLE-3-CARBOXYLATE;3-Isoxazolecarboxylic acid, 5-(tributylstannyl)-, ethyl ester;ethyl 5-(tributylstannyl)-1,2-oxazole-3-carboxylate;MFCD07368612;3-Isoxazolecarboxylicacid,5-(tributylstannyl)-,ethyl ester;SCHEMBL407357;DTXSID30376846;LDFBGRFJCWKQCA-UHFFFAOYSA-N;BFA08591;AKOS015843106;GS-6446;SY122188;FT-0650816;H10443;Ethyl 5-(tri-n-butylstannyl)isoxazole-3-carboxylate;J-521072;5-tributylstannanyl-isoxazole-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.67E-08mmHg at 25°C
• Melting Point: 78-79℃
• Refractive Index: n20/D1.534
• Boiling Point: 446.3 °C at 760 mmHg
• PKA: -5.45±0.50(Predicted)
• Flash Point: 223.7 °C
• PSA: 52.33000
• Density: 1.209 at 25 °C
• LogP: 4.90740
• Sensitive.: Air & Moisture Sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 431.148246
• Heavy Atom Count: 23
• Complexity: 317

Purity/Quality:

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

Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate

There total 4 articles about Ethyl 5-(tributylstannyl)isoxazole-3-carboxylate 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: 78.0%

tributylethynyltin (994-89-8) + ethyl 2-chloro-2-(hydroxyimino)acetate (14337-43-0) → 5-tributylstannanyl-isoxazole-3-carboxylic acid ethyl ester (126085-91-4)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; Cooling; Inert atmosphere;

Reference yield: 59.0%

carbethoxychloraldoxime + tributylethynyltin (994-89-8) → 5-tributylstannanyl-isoxazole-3-carboxylic acid ethyl ester (126085-91-4)

Guidance literature:

With triethylamine; In diethyl ether;

Reference yield: 45.7%

tributylethynyltin (994-89-8) + chlorohydroxyimino-acetic acid ethyl ester (861135-87-7) → 5-tributylstannanyl-isoxazole-3-carboxylic acid ethyl ester (126085-91-4)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 4h;

upstream raw materials:

ethyl chlorooximidoacetate

tributylethynyltin

ethyl 2-chloro-2-(hydroxyimino)acetate

chlorohydroxyimino-acetic acid ethyl ester

Downstream raw materials:

5-(3-(3-Hydroxy-propyl)-phenyl)-isoxazole-3-carboxylic Acid Ethyl Ester

ethyl 5-bromoisoxazole-3-carboxylate

ethyl 5-(2-fluorophenyl)isooxazole-3-carboxylate

ethyl 5-(2,4-dihydroxy-5-isopropylphenyl)-3-(ethylcarbamoyl)-4,5'-biisoxazole-3'-carboxylate

Refernces

• 1、 -. "SUBSTITUTED NITROGEN CONTAINING COMPOUNDS". Page/Page column 258; 259. . Retrieved 2019/01/05.
• 2、 -. "PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES". Paragraph 0581; 0582; 0583;0584. . Retrieved 2017/09/08.