(3,5-Dimethyl-4-isoxazolyl)methanol

Base Information

• Chemical Name: (3,5-Dimethyl-4-isoxazolyl)methanol
• CAS No.: 19788-36-4
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• Hs Code.: 2934999090
• European Community (EC) Number: 675-576-5
• NSC Number: 151752
• DSSTox Substance ID: DTXSID80302519
• Nikkaji Number: J45.081B
• Wikidata: Q63409053
• Mol file: 19788-36-4.mol

Synonyms:(3,5-Dimethyl-4-isoxazolyl)methanol;19788-36-4;(3,5-dimethylisoxazol-4-yl)methanol;4-Isoxazolemethanol, 3,5-dimethyl-;(3,5-dimethyl-1,2-oxazol-4-yl)methanol;MFCD00464226;3,5-dimethyl-4-hydroxymethylisoxazole;3,5-dimethyl-4-hydroxymethyl-isoxazole;(3,5-Dimethyl-isoxazol-4-yl)-methanol;(dimethyl-1,2-oxazol-4-yl)methanol;NSC151752;SCHEMBL96071;4-Isoxazolemethanol,5-dimethyl-;DTXSID80302519;3,5-dimethylisoxazole-4-methanol;STK366546;AKOS003674011;NSC 151752;NSC-151752;(3,5-Dimethyl-4-isoxazolyl)methanol #;3,5-Dimethyl-4-(hydroxymethyl)isoxazole;SY004843;CS-0085293;FT-0604688;EN300-201927;(3,5-dimethyl-4-isoxazolyl)methanol, AldrichCPR;A813947;11X-0256;W-206458;Q63409053

Chemical Property of (3,5-Dimethyl-4-isoxazolyl)methanol

Chemical Property:

• Vapor Pressure: 0.00577mmHg at 25°C
• Melting Point: 76 °C
• Refractive Index: 1.497
• Boiling Point: 261.7 °C at 760 mmHg
• PKA: 13.65±0.10(Predicted)
• Flash Point: 112.1 °C
• PSA: 46.26000
• Density: 1.137 g/cm³
• LogP: 0.78370
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Sensitive.: Light Sensitive
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

(3,5-Dimethylisoxazol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)CO

Technology Process of (3,5-Dimethyl-4-isoxazolyl)methanol

There total 9 articles about (3,5-Dimethyl-4-isoxazolyl)methanol 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: 79.0%

3,5-dimethyl-4-isoxazolecarboxylic acid (2510-36-3) → 4-hydroxymethyl-3,5-dimethylisoxazole (19788-36-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/acsmedchemlett.6b00186

Reference yield: 68.0%

methyl 3,5-dimethylisoxazole-4-carboxylate (56328-87-1) → 4-hydroxymethyl-3,5-dimethylisoxazole (19788-36-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

→ 4-hydroxymethyl-3,5-dimethylisoxazole (19788-36-4) + ethyl 3,5-dimethylisoxazole-4-carboxylate (17147-42-1)

Guidance literature:

upstream raw materials:

4-chloromethyl-3,5-dimethylisoxazole

3,5-dimethyl-1,2-oxazole

formaldehyd

3,5-dimethyl-4-isoxazolecarboxylic acid

Downstream raw materials:

3,5-dimethyl-4-isoxazolecarboxylic acid

4-(bromomethyl)-3,5-dimethylisoxazole

methyl 2-(4-(2-(3,5-dimethylisoxazol-4-yl)-2-hydroxyethoxy)phenyl)acetate

2-(4-(2-(3,5-dimethylisoxazol-4-yl)-2-oxoethoxy)phenyl)-N-((2,4-dimethylphenyl)(phenyl)methyl)acetamide