Methyl 2-phenyloxirane-2-carboxylate

Base Information

• Chemical Name: Methyl 2-phenyloxirane-2-carboxylate
• CAS No.: 98324-47-1
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• DSSTox Substance ID: DTXSID80503746
• Nikkaji Number: J184.040A
• Mol file: 98324-47-1.mol

Synonyms:Methyl 2-phenyloxirane-2-carboxylate;98324-47-1;Oxiranecarboxylic acid, 2-phenyl-, methyl ester;starbld0020272;2-Phenyloxirane-2-carboxylic acid methyl ester;phenylglycidate methyl ester;SCHEMBL830804;DTXSID80503746;CWQYVTPJYUNQRM-UHFFFAOYSA-N;AKOS026740893;BS-12621

Chemical Property of Methyl 2-phenyloxirane-2-carboxylate

Chemical Property:

• PSA: 38.83000
• LogP: 1.08510
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

methyl2-phenyloxirane-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CO1)C2=CC=CC=C2

Technology Process of Methyl 2-phenyloxirane-2-carboxylate

There total 6 articles about Methyl 2-phenyloxirane-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: 85.0%

2-phenyl-acrylic acid methyl ester (1865-29-8) → 2-phenyloxirane-2-carboxylic acid methyl ester (98324-47-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 45 ℃;

DOI:10.1021/ja065898s

Reference yield: 73.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + methyl 2-oxo-2-phenylacetate (15206-55-0) → 2-phenyloxirane-2-carboxylic acid methyl ester (98324-47-1)

Guidance literature:

In diethyl ether; at -10 - 20 ℃;

DOI:10.1021/ol701522t

Reference yield:

benzeneacetic acid methyl ester (101-41-7) → 2-phenyloxirane-2-carboxylic acid methyl ester (98324-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: benzene / 1 h / 20 °C

1.2: 81 percent / formaldehyde; K₂CO₃ / H₂O / 2 h / 20 °C

2.1: 85 percent / mCPBA / CH₂Cl₂ / 45 °C

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; benzene;

DOI:10.1021/ja065898s

upstream raw materials:

diazomethane

methyl 2-oxo-2-phenylacetate

potassium α-phenylglycidate

methyl iodide

Downstream raw materials:

methyl 2-phenyl-3-phenoxy-2-hydroxypropanoate

3-azido-2-hydroxy-2-phenylpropionic acid methyl ester

2-phenyl-2-aziridinecarboxylic acid methyl ester

2-phenylaziridine-2-carboxylic acid ethyl ester

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