(2,3-Epoxypropyl)benzene

Base Information

• Chemical Name: (2,3-Epoxypropyl)benzene
• CAS No.: 4436-24-2
• Molecular Formula: C9H10 O
• Molecular Weight: 134.178
• Hs Code.: 2910900090
• European Community (EC) Number: 628-336-9
• NSC Number: 4327
• UNII: LKQ2758W1E
• DSSTox Substance ID: DTXSID501032201
• Nikkaji Number: J149.295K
• Wikidata: Q27283046
• Mol file: 4436-24-2.mol

Synonyms:allylbenzene 2',3'-epoxide;allylbenzene-2',3'-oxide

Chemical Property of (2,3-Epoxypropyl)benzene

Chemical Property:

• Vapor Pressure: 0.221mmHg at 25°C
• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 215°Cat760mmHg
• Flash Point: 81.7°C
• PSA: 12.53000
• Density: 1.094g/cm³
• LogP: 1.62790
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Benzyloxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(O1)CC2=CC=CC=C2

Technology Process of (2,3-Epoxypropyl)benzene

There total 25 articles about (2,3-Epoxypropyl)benzene 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: 99.0%

allylbenzene (300-57-2,57807-91-7) → 1,2-epoxy-3-phenylpropane (4436-24-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Cooling with ice; Inert atmosphere;

DOI:10.1021/ol203055v

Reference yield: 99.0%

3-phenylpropane-1,2-diol (19881-97-1,61475-32-9,79299-22-2,17131-14-5) → 1,2-epoxy-3-phenylpropane (4436-24-2)

Guidance literature:

With diethoxyltriphenylphosphorane; In dichloromethane; Heating;

DOI:10.1021/ja00304a030

Reference yield: 83.0%

phenylacetaldehyde (122-78-1) + dimethylsulfoxonium methylide (70775-39-2,5367-24-8) → 1,2-epoxy-3-phenylpropane (4436-24-2) + dimethyl sulfoxide (67-68-5,8070-53-9)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1002/ejoc.201101031

upstream raw materials:

allylbenzene

Perbenzoic acid

1-chloro-3-phenylpropan-2-ol

1-Iodo-3-phenyl-2-propanol

Downstream raw materials:

1-phenyl-3-piperidin-1-ylpropan-2-ol

1-dimethylamino-3-phenyl-propan-2-ol

1-diethylamino-3-phenyl-propan-2-ol

3-phenyl-propionaldehyde

Refernces

• 1、 Colaiezzi, Roberta,Crucianelli, Marcello,Di Giuseppe, Andrea,Ferella, Francesco,Lazzarini, Andrea,Paolucci, Valentina. "Catalytic oxygen atom transfer promoted by tethered Mo(VI) dioxido complexes onto silica-coated magnetic nanoparticles". . . Retrieved 2021/11/30.
• 2、 Rossi-Fernández, Lucía,Dorn, Viviana,Radivoy, Gabriel. "A new and efficient methodology for olefin epoxidation catalyzed by supported cobalt nanoparticles". supporting information. p. 519 - 526. Retrieved 2021/03/31.