Hymexazol

Base Information

• Chemical Name: Hymexazol
• CAS No.: 10004-44-1
• Deprecated CAS: 128907-24-4,29412-88-2,52229-82-0
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.0892
• Hs Code.: 29349990
• European Community (EC) Number: 233-000-6
• NSC Number: 217971
• UNII: 20T2M875LO
• DSSTox Substance ID: DTXSID3032622
• Nikkaji Number: J3.115A
• Wikidata: Q16512783
• Metabolomics Workbench ID: 67693
• ChEMBL ID: CHEMBL244877
• Mol file: 10004-44-1.mol

Synonyms:3-hydroxy-5-methylisoxazole;bucide;bucide calcium;bucide monosodium;bucide potassium

Chemical Property of Hymexazol

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.0493mmHg at 25°C
• Melting Point: 80 °C
• Refractive Index: 1.467
• Boiling Point: 363.6 °C at 760 mmHg
• PKA: 5.91 (weak acid)
• Flash Point: 173.7 °C
• PSA: 46.00000
• Density: 1.185 g/cm3
• LogP: 0.27630
• Storage Temp.: −70°C
• Sensitive.: Light Sensitive
• Solubility.: Soluble in alcohol, acetone, THF, chloroform
• Water Solubility.: 65,100 mg l-1 (20 °C)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.032028402
• Heavy Atom Count: 7
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

3-Hydroxy-5-methylisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41-52/53
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)NO1
• Uses: Pesticide. Agricultural fungicide and plant growth regulator. Hymexazol is used to control soil-borne diseases caused by Fusarium, Aphanomyces, Pythium, Corficium and Typhula spp. in rice, sugar beet, fodder beet, vegetables, cucurbits, ornamentals, carnations and forest tree seedlings. It is also used as a seed dressing and stimulates some plant growth.

Technology Process of Hymexazol

There total 18 articles about Hymexazol 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: 94.0%

ethyl acetoacetate (141-97-9) → hymexazole (10004-44-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In water; at 15 - 35 ℃; for 4h; pH=8.2; pH-value;

Reference yield: 93.0%

7-hydroxy-2-(((5-methylisoxazol-3-yl)oxy)methyl)-4-(3,4,5-trimethoxyphenyl)quinoline-8-carbonitrile → hymexazole (10004-44-1)

Guidance literature:

With potassium chloride; water; In dimethyl sulfoxide; pH=7.2; Photolysis;

DOI:10.1039/d1ob01006a

Reference yield: 92.0%

N-(tert-butoxycarbonyl)-N-(tert-butoxycarbonyloxy)acetylacetamide → hymexazole (10004-44-1)

Guidance literature:

With hydrogenchloride; In methanol; at 50 ℃; for 1h;

DOI:10.1021/jo991409d

upstream raw materials:

4-methyleneoxetan-2-one

S-ethyl acetothioacetate

Ethyl tetrolate

ethyl acetoacetate

Downstream raw materials:

4-(bromomethyl)-2-(methoxymethyl)-5-methylisoxazol-3(2H)-one

5-methyl-2-(4-ethoxycarbonyl-2-nitrophenyl)-4-isoxazolin-3-one

5-methylisoxazol-3-yl dimethylcarbamate

3-methoxy-5-methylisoxazole

Refernces

• 1、 Moreno-Manas, Marcial,Perez, Montserrat,Pleixats, Roser. "Palladium-catalyzed allylation of 3-hydroxyisoxazole, 5-isoxazolone and 5-pyrazolone systems". . p. 515 - 528. Retrieved 1991.
• 2、 Asad, Naeem,Deodato, Davide,Dore, Timothy M.. "Photoactivatable AMPA for the study of glutamatergic neuronal transmission using two-photon excitation". supporting information. p. 5589 - 5594. Retrieved 2021/07/02.
• 3、 -. "Production process of hymexazol technical material". Paragraph 0017-0024. . Retrieved 2017/04/28.