1,2-Oxazol-3-OL

Base Information

• Chemical Name: 1,2-Oxazol-3-OL
• CAS No.: 5777-20-8
• Molecular Formula: C3H3NO2
• Molecular Weight: 85.0623
• Hs Code.: 2934999090
• European Community (EC) Number: 831-540-2
• Nikkaji Number: J302.254D
• Mol file: 5777-20-8.mol

Synonyms:1,2-OXAZOL-3-OL;5777-20-8;isoxazol-3(2h)-one;3(2H)-Isoxazolone;ISOXAZOL-3-OL;3-hydroxy-isoxazole;3-HYDROXYISOXAZOLE;1,2-oxazol-3-one;127925-01-3;3-Isoxazolol;MFCD16996230;3-hydroxy isoxazole;FUOSTELFLYZQCW-UHFFFAOYSA-N;AMY12303;AKOS022719772;AKOS028111902;MB20248;PS-20255;SY197715;CS-0047268;FT-0721239;EN300-95046;W15437;F8881-2391;Z1255501207

Chemical Property of 1,2-Oxazol-3-OL

Chemical Property:

• Melting Point: 98-99℃
• Boiling Point: 221.5 °C at 760 mmHg
• PKA: 12.56±0.20(Predicted)
• Flash Point: 87.7 °C
• PSA: 46.26000
• Density: 1.297 g/cm³
• LogP: 0.38020
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 85.016378338
• Heavy Atom Count: 6
• Complexity: 97

Purity/Quality:

98%min ^*data from raw suppliers

3(2H)-Isoxazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CONC1=O
• Uses: 3(2H)-Isoxazolone is a 3-hydroxyisoxazole with fungicidal activity. 3(2H)-Isoxazolone is an impurity of Cycloserine (C988800).

Technology Process of 1,2-Oxazol-3-OL

There total 9 articles about 1,2-Oxazol-3-OL 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: 46.13%

propynoic acid ethyl ester (623-47-2) → isoxazol-3-ol (5777-20-8,127925-01-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In methanol; water; at 25 ℃; for 100h;

Reference yield: 35.0%

hydroxylamine hydrochloride (5470-11-1) + propynoic acid ethyl ester (623-47-2) → isoxazol-3-ol (5777-20-8,127925-01-3)

Guidance literature:

hydroxylamine hydrochloride; With sodium hydroxide; In water;

propynoic acid ethyl ester; In methanol; water; at 20 ℃; for 144h;

Reference yield: 32.0%

propynoic acid methyl ester (922-67-8) → isoxazol-3-ol (5777-20-8,127925-01-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In methanol; water; at 20 ℃; for 144h;

upstream raw materials:

N-hydroxyurea

propynoic acid ethyl ester

sodium ethanolate

hydroxylamine hydrochloride

Downstream raw materials:

2-benzyl-isoxazol-3-one

3-((R)-1-Octadecyloxymethyl-2-trityloxy-ethoxy)-isoxazole

3-((S)-1-Hexadecyloxymethyl-2-trityloxy-ethoxy)-isoxazole

1-O-hexadecyl-2-O-(3-isoxazolyl)-3-O-triphenylmethyl-sn-glycerol

Refernces

• 1、 Santhosh,Kshirsagar, Yogesh M.,Venkatesan,Hazra, Debasis,Kindel, Jnaneshwara,Sridharan,Ennis, David,Howells, Garnet E.,Stefinovic, Marijan,Manjunatha, Sulur G.,Nambiar, Sudhir. "Development of a safe, scalable process for the preparation of an oxaisoxazolidinone". . p. 1802 - 1806. Retrieved 2015/02/19.
• 2、 -. "NOVEL OXAZOLIDINONE DERIVATIVE AND MEDICAL COMPOSITION CONTAINING SAME". Paragraph 0175-0177. . Retrieved 2014/07/08.