4-Iodo-5-methylisoxazole

Base Information

• Chemical Name: 4-Iodo-5-methylisoxazole
• CAS No.: 7064-38-2
• Molecular Formula: C4H4INO
• Molecular Weight: 208.986
• Hs Code.: 2934999090
• European Community (EC) Number: 839-730-7
• DSSTox Substance ID: DTXSID00383683
• Wikidata: Q72483970
• Mol file: 7064-38-2.mol

Synonyms:4-Iodo-5-methylisoxazole;7064-38-2;4-Iodo-5-methyl-isoxazole;4-iodo-5-methyl-1,2-oxazole;MFCD06411541;Isoxazole,4-iodo-5-methyl-;Isoxazole, 4-iodo-5-methyl-;SCHEMBL316120;DTXSID00383683;NFLDXKDDDKVRSN-UHFFFAOYSA-N;AMY24812;AKOS016001380;PS-3723;4-iodo-5-methyl-isoxazole, AldrichCPR;SY038698;A9309;CS-0085327;FT-0654993;EN300-101745;J-515566;Z1269175158

Chemical Property of 4-Iodo-5-methylisoxazole

Chemical Property:

• Vapor Pressure: 0.113mmHg at 25°C
• Melting Point: 27 °C
• Refractive Index: 1.576
• Boiling Point: 228 °C at 760 mmHg
• Flash Point: 91.7 °C
• PSA: 26.03000
• Density: 2.013g/cm³
• LogP: 1.58760
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 208.93376
• Heavy Atom Count: 7
• Complexity: 68.7

Purity/Quality:

99% ^*data from raw suppliers

4-Iodo-5-methylisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NO1)I

Technology Process of 4-Iodo-5-methylisoxazole

There total 2 articles about 4-Iodo-5-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:

5-methylisoxazole (5765-44-6) → 4-iodo-5-methyl-1,2-oxazole (7064-38-2)

Guidance literature:

With N-iodo-succinimide; In trifluoroacetic acid; at 23 ℃;

DOI:10.1021/ja104313x

Reference yield:

→ 4-iodo-5-methyl-1,2-oxazole (7064-38-2)

Guidance literature:

5-Methyl-isoxazol, Jod in Ggw. von HNO3 (D: 1.4), Eisessig/CCl4 <14 h, W.-Bad>;

Reference yield: 100.0%

3'-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-2-amine + 4-iodo-5-methyl-1,2-oxazole (7064-38-2) → 3'-fluoro-4-(5-methylisoxazol-4-yl)-[1,1'-biphenyl]-2-amine

Guidance literature:

With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); In 1,4-dioxane; water; at 110 ℃; for 1h; Inert atmosphere;

upstream raw materials:

5-methylisoxazole

Downstream raw materials:

[4-(5-methylisoxazol-4-yl)phenyl]acetic acid

Refernces