Methyl 4-(dimethoxymethyl)-3-phenyl-1,2-oxazole-5-carboxylate

Base Information

• Chemical Name: Methyl 4-(dimethoxymethyl)-3-phenyl-1,2-oxazole-5-carboxylate
• CAS No.: 161126-48-3
• Molecular Formula: C₁₄H₁₅NO₅
• Molecular Weight: 277.277
• DSSTox Substance ID: DTXSID901153057
• Nikkaji Number: J635.917E
• Mol file: 161126-48-3.mol

Synonyms:161126-48-3;Methyl 4-(dimethoxymethyl)-3-phenyl-1,2-oxazole-5-carboxylate;5-Isoxazolecarboxylicacid,4-(dimethoxymethyl)-3-phenyl-,methylester(9CI);SCHEMBL2565906;DTXSID901153057;methyl 4-(dimethoxymethyl)-3-phenylisoxazole-5-carboxylate;3-Phenyl-4-(dimethoxymethyl)isoxazole-5-carboxylic acid methyl ester;5-Isoxazolecarboxylic acid, 4-(dimethoxymethyl)-3-phenyl-, methyl ester

Chemical Property of Methyl 4-(dimethoxymethyl)-3-phenyl-1,2-oxazole-5-carboxylate

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 277.09502258
• Heavy Atom Count: 20
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(C1=C(ON=C1C2=CC=CC=C2)C(=O)OC)OC

Technology Process of Methyl 4-(dimethoxymethyl)-3-phenyl-1,2-oxazole-5-carboxylate

There total 2 articles about Methyl 4-(dimethoxymethyl)-3-phenyl-1,2-oxazole-5-carboxylate 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: 45.1%

(E)-methyl 4,4-dimethoxy-2-(phenylsulfinyl)but-2-enoate (1236189-14-2) + phenylhydroxamoyl chloride (934-16-7) → methyl 4-dimethoxymethyl-3-phenylisoxazole-5-carboxylate (161126-48-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

Reference yield:

methyl 4,4-dimethoxybut-2-ynoate (64677-38-9) + benzohydroximoyl chloride (698-16-8) → methyl 5-dimethoxymethyl-3-phenylisoxazole-4-carboxylate (161126-42-7) + methyl 4-dimethoxymethyl-3-phenylisoxazole-5-carboxylate (161126-48-3)

Guidance literature:

With triethylamine; In diethyl ether; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

methyl 4,4-dimethoxybut-2-ynoate

benzohydroximoyl chloride

(E)-methyl 4,4-dimethoxy-2-(phenylsulfinyl)but-2-enoate

phenylhydroxamoyl chloride