5-Ethoxy-2-methyl-1,3-oxazole-4-carbonyl chloride

Base Information

• Chemical Name: 5-Ethoxy-2-methyl-1,3-oxazole-4-carbonyl chloride
• CAS No.: 3357-62-8
• Molecular Formula: C7H8ClNO3
• Molecular Weight: 189.6
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40562213
• Wikidata: Q82446273
• Mol file: 3357-62-8.mol

Synonyms:3357-62-8;5-ETHOXY-2-METHYLOXAZOLE-4-CARBONYL CHLORIDE;5-ETHOXY-2-METHYL-1,3-OXAZOLE-4-CARBONYL CHLORIDE;SCHEMBL2200601;DTXSID40562213;AKOS006313992;AB54838

Chemical Property of 5-Ethoxy-2-methyl-1,3-oxazole-4-carbonyl chloride

Chemical Property:

• Boiling Point: 278.3±20.0 °C(Predicted)
• PKA: -0.45±0.10(Predicted)
• PSA: 52.33000
• Density: 1.275±0.06 g/cm3(Predicted)
• LogP: 1.76070
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 189.0192708
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

5-ETHOXY-2-METHYLOXAZOLE-4-CARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(N=C(O1)C)C(=O)Cl

Technology Process of 5-Ethoxy-2-methyl-1,3-oxazole-4-carbonyl chloride

There total 3 articles about 5-Ethoxy-2-methyl-1,3-oxazole-4-carbonyl chloride 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:

2-methyl-5-ethoxyoxazole-4-carboxylic acid (3357-56-0) → 2-methyl-4-(chlorocarbonyl)-5-ethoxyoxazole (3357-62-8)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jo00301a056

Reference yield:

ethyl 5-methoxy-2-methyl-1,3-oxazole-4-carboxylate (3357-55-9) → 2-methyl-4-(chlorocarbonyl)-5-ethoxyoxazole (3357-62-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / aqueous NaOH / 0.17 h

2: oxalyl chloride, DMF / CH₂Cl₂ / 2 h / Ambient temperature

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jo00301a056

Reference yield:

→ 2-methyl-4-(chlorocarbonyl)-5-ethoxyoxazole (3357-62-8)

Guidance literature:

5-Aethoxy-2-methyl-oxazol-4-carbonsaeure, PCl5, CHCl3, Erhitzen;

upstream raw materials:

2-methyl-5-ethoxyoxazole-4-carboxylic acid

ethyl 5-methoxy-2-methyl-1,3-oxazole-4-carboxylate

Downstream raw materials:

2-methyl-4-<(N-methylamino)carbonyl>-5-ethoxyoxazole

2-methyl-4-(methylaminocarbonyl)-5-ethoxyoxazole

4-(3-chlorobenzamidinamide)-2-methyl-5-ethoxy-4-oxazole-4-carbonyl chloride

2-methyl-4-<(N-methylamino)thiocarbonyl>-5-ethoxyoxazole