5-FORMYLISOXAZOLE

Base Information

• Chemical Name: 5-FORMYLISOXAZOLE
• CAS No.: 16401-14-2
• Molecular Formula: C4H3NO2
• Molecular Weight: 97.07
• Hs Code.: 2934999090
• Mol file: 16401-14-2.mol

Synonyms:5-Formylisoxazole;

Chemical Property of 5-FORMYLISOXAZOLE

Chemical Property:

• Vapor Pressure: 0.178mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 211.891 °C at 760 mmHg
• PKA: -3.78±0.50(Predicted)
• Flash Point: 81.949 °C
• PSA: 43.10000
• Density: 1.258 g/cm³
• LogP: 0.48710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

5-Isoxazolecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-Isoxazolecarbaldehyde is the derivative of 5-Isoxazolecarboxylic Acid, which is used as a reagent in the synthesis of N-(benzo[1,2,3]triazol-1-yl)-N-((benzyl)acetamido)phenyl carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors. 5-Isoxazolecarboxylic Acid is also used as a reagent in the synthesis of TC-6683, a α4β2 nicotinic acetylcholine receptor agonist for treatment of cognitive disorders.

Technology Process of 5-FORMYLISOXAZOLE

There total 3 articles about 5-FORMYLISOXAZOLE 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: 60.0%

methyl 1,2-oxazole-5-carboxylate (15055-81-9) → 5-isoxazolecarboxaldehyde (16401-14-2)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 1h;

Reference yield: 45.0%

5-(hydroxymethyl)isoxazole (98019-60-4) → 5-isoxazolecarboxaldehyde (16401-14-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1.5h;

Reference yield:

→ 5-isoxazolecarboxaldehyde (16401-14-2)

Guidance literature:

5-Vinylisoxazol(II), Perameisensaeure, Periodsaeure;

upstream raw materials:

5-(hydroxymethyl)isoxazole

methyl 1,2-oxazole-5-carboxylate

Downstream raw materials:

(6R,7R)-3-((Z)-2-Isoxazol-5-yl-vinyl)-8-oxo-7-{2-[2-(trityl-amino)-thiazol-4-yl]-2-[(Z)-trityloxyimino]-acetylamino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester

(4S)-3-[(2S,3S)-2-(biphenyl-4-ylmethoxy)-3-hydroxy-2-methyl-3-(isoxazol-5-yl)propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

Refernces

• 1、 -. "PYRROLOPYRAZINE KINASE INHIBITORS". Page/Page column 154. . Retrieved 2013/03/28.
• 2、 -. "1-cyclopropyl-4-pyridyl-quinolinones". . . Retrieved 2008/06/13.