Oxazole-2-carbaldehyde

Base Information

• Chemical Name: Oxazole-2-carbaldehyde
• CAS No.: 65373-52-6
• Molecular Formula: C4H3NO2
• Molecular Weight: 97.0733
• Hs Code.: 2934999090
• European Community (EC) Number: 810-562-6
• DSSTox Substance ID: DTXSID20564013
• Nikkaji Number: J363.484A
• Wikidata: Q72498241
• Mol file: 65373-52-6.mol

Synonyms:Oxazole-2-carbaldehyde;65373-52-6;2-Oxazolecarboxaldehyde;1,3-oxazole-2-carbaldehyde;1,3-OXAZOLE-2-CARBOXALDEHYDE;OXAZOLE-2-CARBOXALDEHYDE;oxazole 2-carboaldehyde;DTXSID20564013;TYHOSUCCUICRLM-UHFFFAOYSA-N;MFCD03412587;AKOS006342976;1 pound not3-Oxazole-2-carboxaldehyde;AB14413;CS-W006539;PS-11971;A8875;AM20100592;EN300-103208;J-523849

Chemical Property of Oxazole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.099mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 182.546 °C at 760 mmHg
• PKA: -1.86±0.10(Predicted)
• Flash Point: 64.202 °C
• PSA: 43.10000
• Density: 1.259 g/cm³
• LogP: 0.48710
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 97.016378338
• Heavy Atom Count: 7
• Complexity: 74.1

Purity/Quality:

99% ^*data from raw suppliers

2-Oxazolecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=N1)C=O

Technology Process of Oxazole-2-carbaldehyde

There total 5 articles about Oxazole-2-carbaldehyde 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: 80.0%

oxazol (288-42-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → oxazole-2-carbaldehyde (65373-52-6)

Guidance literature:

oxazol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃;

Reference yield: 50.0%

2-oxazolyl lithium (154093-80-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → oxazole-2-carbaldehyde (65373-52-6)

Guidance literature:

at 23 ℃;

DOI:10.1021/jo00001a087

Reference yield:

oxazol (288-42-6) + 4-morpholinecarboxaldehyde (4394-85-8) → oxazole-2-carbaldehyde (65373-52-6)

Guidance literature:

oxazol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -10 ℃; for 6.16667h;

4-morpholinecarboxaldehyde; In tetrahydrofuran; hexane; at 20 ℃; for 15h;

upstream raw materials:

2-oxazolyl lithium

N,N-dimethyl-formamide

oxazol

4-morpholinecarboxaldehyde

Downstream raw materials:

5-amino-2-(oxazol-2-yl)-4-phenylthiazole

(E)-2-styryloxazole

(Z)-2-styryloxazole

oxazol-5-yl(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)methanol

Refernces

• 1、 -. "HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN". Page/Page column 45-46. . Retrieved 2011/04/19.
• 2、 -. "4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER". Page/Page column 93. . Retrieved 2008/06/13.