5-Oxazolecarboxaldehyde

Base Information

• Chemical Name: 5-Oxazolecarboxaldehyde
• CAS No.: 118994-86-8
• Molecular Formula: C4H3NO2
• Molecular Weight: 97.0733
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70473949
• Nikkaji Number: J991.588E
• Wikidata: Q82303649
• Mol file: 118994-86-8.mol

Synonyms:118994-86-8;OXAZOLE-5-CARBALDEHYDE;5-OXAZOLECARBOXALDEHYDE;1,3-oxazole-5-carbaldehyde;oxazole-5-carboxaldehyde;MFCD02179513;5-Formyloxazole;5-formyl-oxazole;DTXSID70473949;YOFJBRZKRZUDGB-UHFFFAOYSA-N;5-oxazolecarboxaldehyde, AldrichCPR;AKOS006283212;AB11283;CS-W000738;PS-17726;SY025934;AM20080128;BB 0260789;FT-0645257;EN300-73499;A804143;J-004028;J-517898

Chemical Property of 5-Oxazolecarboxaldehyde

Chemical Property:

• Vapor Pressure: 0.723mmHg at 25°C
• Melting Point: 30-32℃
• Refractive Index: 1.519
• Boiling Point: 184.7 °C at 760 mmHg
• PKA: -1.09±0.10(Predicted)
• Flash Point: 65.504 °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:

98%,99%, ^*data from raw suppliers

1,3-Oxazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC=N1)C=O

Technology Process of 5-Oxazolecarboxaldehyde

There total 6 articles about 5-Oxazolecarboxaldehyde 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%

oxazole-5-carboxaldehyde dimethyl acetal → oxazole-5-carbaldehyde (118994-86-8)

Guidance literature:

With amberlyst-15; In water; acetone; at 20 ℃; for 2h;

DOI:10.1002/chem.200700033

Reference yield: 80.0%

oxazol-5-yl-carboxylic acid ethyl ester (118994-89-1) → oxazole-5-carbaldehyde (118994-86-8)

Guidance literature:

With n-butyllithium; diisobutylaluminium hydride; tert-butyl alcohol; In tetrahydrofuran; hexane; at 0 ℃;

DOI:10.1002/ejoc.201101458

Reference yield: 59.0%

5-((diethoxy)methyl)oxazole (104336-01-8) → oxazole-5-carbaldehyde (118994-86-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1021/jm970636+

upstream raw materials:

5-((diethoxy)methyl)oxazole

1,3-oxazol-5-ylmethanol

dichloromethane

water

Downstream raw materials:

(4R)-N-[(2-chloro-6-methylphenyl)methyl]-3-[(2S,4S)-5-[((3S,4S)-3,4-dihydro-3-hydroxy-2H-1-benzopyran-4-yl)amino]-2-hydroxy-4-(5-oxazolylmethyl)-1,5-dioxopentyl]-5,5-dimethyl-4-thiazolidinecarboxamide

1,3-oxazol-5-ylmethanol

(4-chloro-3-fluorophenyl)(oxazol-5-yl)methanol

(2RS,4R)-2-(2-fluorophenyl)-thiazolidine-4-carboxylic acid

Refernces

• 1、 -. "SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS". Page/Page column 56; 57; 58. . Retrieved 2015/09/22.
• 2、 De Munoz, Juan M.,Alcazar, Jesus,De La Hoz, Antonio,Diaz-Ortiz, Angel. "Application of flow chemistry to the selective reduction of esters to aldehydes". supporting information; experimental part. p. 260 - 263. Retrieved 2012/02/16.