Methyl 2-ethyl-1,3-benzoxazole-5-carboxylate

Base Information

• Chemical Name: Methyl 2-ethyl-1,3-benzoxazole-5-carboxylate
• CAS No.: 924862-20-4
• Molecular Formula: C₁₁H₁₁NO₃
• Molecular Weight: 205.213
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10594763
• Wikidata: Q82489668
• Mol file: 924862-20-4.mol

Synonyms:924862-20-4;Methyl 2-ethyl-1,3-benzoxazole-5-carboxylate;Methyl 2-ethylbenzo[d]oxazole-5-carboxylate;Methyl2-ethyl-1,3-benzoxazole-5-carboxylate;SCHEMBL17221764;DTXSID10594763;ZLB86220;MFCD08689724;AKOS005072709;FA-0832;Methyl2-ethylbenzo[d]oxazole-5-carboxylate;DB-334781;CS-0325800;A909921;J-522012

Chemical Property of Methyl 2-ethyl-1,3-benzoxazole-5-carboxylate

Chemical Property:

• PSA: 52.33000
• LogP: 2.17680
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-ethyl-1,3-benzoxazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NC2=C(O1)C=CC(=C2)C(=O)OC

Technology Process of Methyl 2-ethyl-1,3-benzoxazole-5-carboxylate

There total 2 articles about Methyl 2-ethyl-1,3-benzoxazole-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:

methyl 3-amino-4-hydroxybenzoate (536-25-4) + Triethyl orthopropionate (115-80-0) → methyl 2-ethyl-1,3-benzoxazole-5-carboxylate (924862-20-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 25 ℃; for 1.5h; Inert atmosphere;

Reference yield:

propionic acid (802294-64-0,79-09-4) + methyl 3-amino-4-hydroxybenzoate (536-25-4) → methyl 2-ethyl-1,3-benzoxazole-5-carboxylate (924862-20-4)

Guidance literature:

DOI:10.1002/jhet.5570450439

Reference yield: 83.0%

methyl 2-ethyl-1,3-benzoxazole-5-carboxylate (924862-20-4) + p-toluidine (106-49-0,12221-03-3) → C17H16N2O2 (1048974-18-0)

Guidance literature:

CoPy₂Cl₂; In methanol; for 1.5h; Heating;

DOI:10.1002/jhet.5570450439

upstream raw materials:

propionic acid

methyl 3-amino-4-hydroxybenzoate

Triethyl orthopropionate

Downstream raw materials:

C₁₇H₁₆N₂O₂

C₁₆H₁₃ClN₂O₂

C₁₇H₁₆N₂O₃

C₁₆H₁₃N₃O₄

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