3-Isoxazolemethanol

Base Information

• Chemical Name: 3-Isoxazolemethanol
• CAS No.: 89102-73-8
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.0892
• Hs Code.: 2934999090
• European Community (EC) Number: 811-657-5
• DSSTox Substance ID: DTXSID60512619
• Wikidata: Q72486676
• Mol file: 89102-73-8.mol

Synonyms:Isoxazol-3-ylmethanol;3-ISOXAZOLEMETHANOL;89102-73-8;1,2-oxazol-3-ylmethanol;(1,2-Oxazol-3-yl)methanol;ISOXAZOL-3-YL-METHANOL;MFCD07778413;3-(Hydroxymethyl)isoxazole;hydroxymethylisoxazole;3-Isoxazolemethanol, AldrichCPR;DTXSID60512619;GBCAGXLDCTZCCT-UHFFFAOYSA-N;AMY37652;AKOS003673260;CS-W003938;PB15902;AS-57474;SY042194;BB 0261243;FT-0686491;EN300-79648;A861308;J-512737;Z875021162

Chemical Property of 3-Isoxazolemethanol

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 239.999 °C at 760 mmHg
• Flash Point: 98.948 °C
• PSA: 46.26000
• Density: 1.25 g/cm³
• LogP: 0.16690
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 99.032028402
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

98%min ^*data from raw suppliers

Isoxazol-3-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CON=C1CO

Technology Process of 3-Isoxazolemethanol

There total 3 articles about 3-Isoxazolemethanol 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: 100.0%

isoxazole-3-carboxaldehyde (89180-61-0) → 3-hydroxymethyl isoxazole (89102-73-8)

Guidance literature:

isoxazole-3-carboxaldehyde; With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 16h;

With water; In ethyl acetate;

Reference yield: 35.0%

propynoic acid ethyl ester (623-47-2) → 3-hydroxymethyl isoxazole (89102-73-8)

Guidance literature:

propynoic acid ethyl ester; With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; water; at 20 ℃; for 48h;

With hydrogenchloride; pH=2 - 3;

Reference yield:

ethyl isoxazole-3-carboxylate (3209-70-9) → 3-hydroxymethyl isoxazole (89102-73-8)

Guidance literature:

With diisobutylaluminum hydride; In toluene;

upstream raw materials:

propynoic acid ethyl ester

isoxazole-3-carboxaldehyde

ethyl isoxazole-3-carboxylate

Downstream raw materials:

3-isoxazolylmethyl chloride

3-(3,4-difluorophenyl)-5-(isoxazol-3-yloxymethyl)isoxazole

3-(bromomethyl)-1,2-oxazole

Refernces

• 1、 -. "Substituted pteridines for the treatment of inflammatory diseases". Page/Page column 7. . Retrieved 2008/06/13.
• 2、 -. "Quinazoline derivatives possessing anti-tumor activity". . . Retrieved 2008/06/13.