Methyl 3-(2-methoxyphenyl)oxirane-2-carboxylate

Base Information

• Chemical Name: Methyl 3-(2-methoxyphenyl)oxirane-2-carboxylate
• CAS No.: 33567-53-2
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.214
• NSC Number: 110709
• DSSTox Substance ID: DTXSID80296661

Synonyms:methyl 3-(2-methoxyphenyl)oxirane-2-carboxylate;33567-53-2;NSC110709;SCHEMBL10894837;DTXSID80296661;MFCD18089228;NSC-110709;methyl3-(2-methoxyphenyl)oxirane-2-carboxylate;A923908

Chemical Property of Methyl 3-(2-methoxyphenyl)oxirane-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.00301mmHg at 25°C
• Boiling Point: 284.3°C at 760 mmHg
• Flash Point: 122°C
• Density: 1.224g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2C(O2)C(=O)OC

Technology Process of Methyl 3-(2-methoxyphenyl)oxirane-2-carboxylate

There total 3 articles about Methyl 3-(2-methoxyphenyl)oxirane-2-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: 67.0%

magnesium methanolate (109-88-6,16436-83-2,16436-85-4) + (2R*,3R*)-2-bromo-3-hydroxy-3-(2-methoxyphenyl)-t-butylthiopropanoate (121638-42-4) → (2R*,3S*)-2,3-epoxy-3-(2-methoxyphenyl)-methylpropanoate (33567-53-2)

Guidance literature:

In diethyl ether; at 0 ℃; for 5.5h;

Reference yield:

dichloroacetic acid methyl ester (116-54-1) + ortho-anisaldehyde (135-02-4) → (2R*,3S*)-2,3-epoxy-3-(2-methoxyphenyl)-methylpropanoate (33567-53-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

DOI:10.1039/c8cc04993a

Reference yield:

→ (2R*,3S*)-2,3-epoxy-3-(2-methoxyphenyl)-methylpropanoate (33567-53-2)

Guidance literature:

aus 2-Methoxy-benzaldehyd, Chloressigsaeure-methylester, Na-aethylat in A., zunaechst bei -8grad bis -10gradC;

upstream raw materials:

magnesium methanolate

(2R^*,3R^*)-2-bromo-3-hydroxy-3-(2-methoxyphenyl)-t-butylthiopropanoate

dichloroacetic acid methyl ester

ortho-anisaldehyde

Downstream raw materials:

(2-methoxy-phenyl)-acetaldehyde

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