Propan-2-yl 3-phenyloxirane-2-carboxylate

Base Information

• Chemical Name: Propan-2-yl 3-phenyloxirane-2-carboxylate
• CAS No.: 65017-34-7
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.2378
• NSC Number: 195108
• DSSTox Substance ID: DTXSID80307822
• Nikkaji Number: J559.540A
• Mol file: 65017-34-7.mol

Synonyms:65017-34-7;propan-2-yl 3-phenyloxirane-2-carboxylate;NSC195108;SCHEMBL14967702;DTXSID80307822;NSC-195108

Chemical Property of Propan-2-yl 3-phenyloxirane-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.00379mmHg at 25°C
• Boiling Point: 280.4°Cat760mmHg
• Flash Point: 112.6°C
• Density: 1.149g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1C(O1)C2=CC=CC=C2

Technology Process of Propan-2-yl 3-phenyloxirane-2-carboxylate

There total 2 articles about Propan-2-yl 3-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: 93.0%

isopropyl cinnamate (7780-06-5) → isopropyl 3-phenyloxirane-2-carboxylate (65017-34-7)

Guidance literature:

With dihydrogen peroxide; acetic acid; In acetonitrile; for 1h; enantioselective reaction;

DOI:10.1002/ejic.201402663

Reference yield:

→ isopropyl 3-phenyloxirane-2-carboxylate (65017-34-7)

Guidance literature:

aus Benzaldehyd, Isopropylchloroacetat, K-t-butanolat;

DOI:10.1021/jo01263a082

Reference yield:

isopropyl 3-phenyloxirane-2-carboxylate (65017-34-7) → sodium (E)-3-phenylglycidate (54885-10-8) + isopropyl (Z)-3-phenyl-oxirane-2-carboxylate

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 10 - 15 ℃;

DOI:10.1016/S0040-4039(03)00234-X

upstream raw materials:

isopropyl cinnamate

Downstream raw materials:

sodium (E)-3-phenylglycidate