Oxazole-4-carboxylic acid

Base Information

• Chemical Name: Oxazole-4-carboxylic acid
• CAS No.: 23012-13-7
• Molecular Formula: C4H3NO3
• Molecular Weight: 113.073
• Hs Code.: 29349990
• European Community (EC) Number: 676-353-5
• DSSTox Substance ID: DTXSID70558427
• Nikkaji Number: J1.253.435C
• Wikidata: Q72498255
• Mol file: 23012-13-7.mol

Synonyms:oxazole-4-carboxylic acid;23012-13-7;4-Oxazolecarboxylic acid;1,3-oxazole-4-carboxylic acid;MFCD06797151;Oxazole-4-carboxylicacid;oxazole-4-carboxylic;4-oxazolecarboxlic acid;SCHEMBL322910;4-Oxazolecarboxylic acid, 97%;DTXSID70558427;AKOS005256548;AC-6589;CS-W019634;DS-0679;PB14470;PS-5716;SY003724;A4878;AM20090239;O0288;EN300-68618;W-206799;F0001-0803;Z1095349994

Chemical Property of Oxazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 142 °C
• Refractive Index: 1.517
• Boiling Point: 289.324 °C at 760 mmHg
• PKA: 3.39±0.10(Predicted)
• Flash Point: 128.779 °C
• PSA: 63.33000
• Density: 1.45 g/cm³
• LogP: 0.37280
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 113.011292958
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

99.5% ^*data from raw suppliers

Oxazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CO1)C(=O)O
• Uses: Oxazole-4-carboxylic Acid is used in preparation of heterocyclic compounds as STING agonists for the treatment of cancer.

Technology Process of Oxazole-4-carboxylic acid

There total 3 articles about Oxazole-4-carboxylic acid 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: 85.0%

oxazole-4-carboxylic acid ethyl ester (23012-14-8) → 1,3-oxazole-4-carboxylic acid (23012-13-7)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; at 25 ℃; for 5h; Saponification;

DOI:10.3987/com-99-8844

Reference yield: 77.0%

methyl 4.-oxazolecarboxylate (170487-38-4) → 1,3-oxazole-4-carboxylic acid (23012-13-7)

Guidance literature:

methyl 4.-oxazolecarboxylate; With water; lithium hydroxide; In tetrahydrofuran; for 2h;

With hydrogenchloride; In water;

Reference yield:

→ 1,3-oxazole-4-carboxylic acid (23012-13-7)

Guidance literature:

upstream raw materials:

oxazole-4-carboxylic acid ethyl ester

methyl 4.-oxazolecarboxylate

Downstream raw materials:

N-methoxy-N-methyloxazole-4-carboxamide

Refernces

• 1、 -. "AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY". Page/Page column 146. . Retrieved 2008/06/13.
• 2、 Mulder, Roger J.,Shafer, Cynthia M.,Molinski, Tadeusz F.. "First Total Synthesis of Bengazole A". . p. 4995 - 4998. Retrieved 2007/10/03.