1-(2,5-Dimethyloxazol-4-yl)ethanone

Base Information

• Chemical Name: 1-(2,5-Dimethyloxazol-4-yl)ethanone
• CAS No.: 23000-12-6
• Molecular Formula: C7H9NO2
• Molecular Weight: 139.154
• Hs Code.: 2934999090
• European Community (EC) Number: 877-621-6
• DSSTox Substance ID: DTXSID40563447
• Wikidata: Q82447890
• Mol file: 23000-12-6.mol

Synonyms:23000-12-6;1-(2,5-Dimethyloxazol-4-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(2,5-DIMETHYL-4-OXAZOLYL)ETHANONE;Ethanone, 1-(2,5-dimethyl-4-oxazolyl)-;1-(2,5-dimethyloxazol-4-yl)ethan-1-one;1-(2,5-Dimethyl-1,3-oxazol-4-yl)ethan-1-one;2,5-Dimethyl-4-acetyl-oxazole;Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI);1-(2,5-Dimethyl-4-Oxazolyl) Ethanone;1-(dimethyl-1,3-oxazol-4-yl)ethan-1-one;4-acetyl-2,5dimethyloxazole;4-acetyl-2,5-dimethyloxazole;SCHEMBL8613414;DTXSID40563447;XWLBBTGITHATTI-UHFFFAOYSA-N;YAA00012;MFCD09751268;AKOS006228111;1-(2,5-Dimethyl-4-oxazolyl)-ethanone;DS-10956;CS-0155143;C74185;1-(2, 5-dimethyl-1, 3-oxazol-4-yl)ethanone;EN300-7144114;A816713;A912718

Chemical Property of 1-(2,5-Dimethyloxazol-4-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.274mmHg at 25°C
• Melting Point: 49 °C
• Refractive Index: 1.473
• Boiling Point: 203.678 °C at 760 mmHg
• PKA: 0.11±0.10(Predicted)
• Flash Point: 76.982 °C
• PSA: 43.10000
• Density: 1.074 g/cm³
• LogP: 1.49400
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

1-(2,5-DIMETHYL-4-OXAZOLYL)ETHANONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C)C(=O)C

Technology Process of 1-(2,5-Dimethyloxazol-4-yl)ethanone

There total 8 articles about 1-(2,5-Dimethyloxazol-4-yl)ethanone 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: 67.0%

acetonitrile (75-05-8,26809-02-9) + acetylacetone (123-54-6,81235-32-7) → 1-(2,5-dimethyloxazol-4-yl)ethanone (23000-12-6)

Guidance literature:

With iodosylbenzene; bis(trifluoromethanesulfonyl)amide; at 0 - 80 ℃; for 3.08333h; Inert atmosphere;

DOI:10.3390/molecules170911046

Reference yield: 65.0%

3-(acetylamino)-2,4-pentanedione (5440-23-3) → 1-(2,5-dimethyloxazol-4-yl)ethanone (23000-12-6)

Guidance literature:

With sulfuric acid; In acetic anhydride; at 20 - 60 ℃; for 2h;

DOI:10.1021/jm00092a012

Reference yield: 52.0%

1-((3aR,3bS,6aS,6bR)-3b-Acetyl-2,5,6a,6b-tetramethyl-6a,6b-dihydro-3bH-1,6-dioxa-3,4-diaza-cyclobutadicyclopenten-3a-yl)-ethanone (127916-14-7) → 1-(2,5-dimethyloxazol-4-yl)ethanone (23000-12-6)

Guidance literature:

In benzene; at 70 ℃; for 3h; Rate constant;

DOI:10.1021/jo00300a013

upstream raw materials:

acetic anhydride

Isonitrosoacetylacetone

1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-(2-Acetyl-3-methyl-2H-azirin-2-yl)-ethanone

Downstream raw materials:

2,5-dimethyl-4-bromoacetyl-oxazole

4-[2-(2,5-Dimethyl-4-oxazolyl)-2-hydroxyethoxy]aniline

4-(4-Acetamidophenoxyacetyl)-2,5-dimethyloxazole

4-[2-(2,5-Dimethyl-4-oxazolyl)-2-hydroxyethoxy]acetanilide