5-Ethoxy-4-methyloxazole

Base Information

• Chemical Name: 5-Ethoxy-4-methyloxazole
• CAS No.: 5006-20-2
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID10473367
• Nikkaji Number: J61.601J
• Wikidata: Q72471788
• Mol file: 5006-20-2.mol

Synonyms:5-Ethoxy-4-methyloxazole;5006-20-2;4-Methyl-5-ethoxyoxazole;5-ethoxy-4-methyl-1,3-oxazole;Oxazole, 5-ethoxy-4-methyl-;5-Ethoxy-4-methoxazole;MFCD06411139;5-ethoxy-4-methyl-oxazole;SCHEMBL618431;DTXSID10473367;FWPDSAJKWKRRJD-UHFFFAOYSA-N;AKOS006293607;CS-W006448;GS-3243;5-Ethoxy-4-methyl-1,3-oxazole, AldrichCPR;AM20080834;FT-0601131;C75335;A827950;J-515762;4-(3-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER

Chemical Property of 5-Ethoxy-4-methyloxazole

Chemical Property:

• Vapor Pressure: 2.58mmHg at 25°C
• Refractive Index: 1.448
• Boiling Point: 164.5 °C at 760 mmHg
• PKA: 1.85±0.14(Predicted)
• Flash Point: 53.3 °C
• PSA: 35.26000
• Density: 1.04 g/cm³
• LogP: 1.38170
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

5-Ethoxy-4-methoxazole ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(N=CO1)C
• Uses: 5-Ethoxy-4-methoxazole is used in the synthesis mappicine ketone, an antiviral compound.

Technology Process of 5-Ethoxy-4-methyloxazole

There total 15 articles about 5-Ethoxy-4-methyloxazole 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: 94.8%

4-methyl-5-ethoxy-2-carboxyoxazole (23429-05-2) → 5-ethoxy-4-methyl-oxazole (5006-20-2)

Guidance literature:

With hydrogenchloride; In chloroform; at 50 ℃; pH=2.5;

Reference yield: 89.9%

4-methyl-5-ethoxy-2-oxazole carboxylate ethyl ester (23429-04-1) → 5-ethoxy-4-methyl-oxazole (5006-20-2)

Guidance literature:

4-methyl-5-ethoxy-2-oxazole carboxylate ethyl ester; With sodium hydroxide;

With hydrogenchloride;

DOI:10.1021/op4001687

Reference yield: 71.0%

ethyl N-formyl-2-aminopropanoate (4289-99-0) → 5-ethoxy-4-methyl-oxazole (5006-20-2)

Guidance literature:

With boron trifluoride diethyl etherate; magnesium oxide; In dichloromethane; at 120 ℃; for 8h; Reagent/catalyst; Temperature; Solvent; Sealed tube;

upstream raw materials:

ethyl N-formyl-2-aminopropanoate

AlaOEt

4-methyl-5-ethoxy-2-oxazole carboxylate ethyl ester

methylglyoxal diethyl acetal

Downstream raw materials:

5-ethoxy-4-formyl-3-(1-phenylcarbonyloxypropyl)furan

pyridoxal hydrochloride

8-methyl-3-(propan-2-yl)-1H,3H,5H-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate

7-hydroxy-6-methyl-1,3-dihydrofuro<3,4-c>pyridin

Refernces

• 1、 -. "Preparation method of 4-methyl-5-ethoxy oxazole". Paragraph 0005; 0016-0039. . Retrieved 2021/04/26.
• 2、 -. "Preparation method of 4-alkyl-5-alkoxy oxazole compound". Paragraph 0046-0049; 0052-0053. . Retrieved 2020/02/14.