2-[(2-Ethylphenoxy)methyl]oxirane

Base Information

• Chemical Name: 2-[(2-Ethylphenoxy)methyl]oxirane
• CAS No.: 15620-78-7
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• NSC Number: 113103
• DSSTox Substance ID: DTXSID80297012
• Nikkaji Number: J175.718K
• Mol file: 15620-78-7.mol

Synonyms:2-[(2-ethylphenoxy)methyl]oxirane;15620-78-7;Oxirane, 2-[(2-ethylphenoxy)methyl]-;NSC113103;SCHEMBL4276592;DTXSID80297012;NSC-113103;A1-06197

Chemical Property of 2-[(2-Ethylphenoxy)methyl]oxirane

Chemical Property:

• Vapor Pressure: 0.0184mmHg at 25°C
• Boiling Point: 261.8°Cat760mmHg
• Flash Point: 101.1°C
• Density: 1.07g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1OCC2CO2

Technology Process of 2-[(2-Ethylphenoxy)methyl]oxirane

There total 3 articles about 2-[(2-Ethylphenoxy)methyl]oxirane 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: 80.5%

o-Hydroxyethylbenzene (90-00-6) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → (R,S)-1-(2′-ethylphenoxy)-2,3-epoxy-propane (15620-78-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;

DOI:10.1002/anie.201402653

Reference yield: 48.5%

rac-3-(2-ethylphenoxy)propane-1,2-diol (7149-82-8) → (R,S)-1-(2′-ethylphenoxy)-2,3-epoxy-propane (15620-78-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 4 ℃; for 24h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetasy.2016.05.001

Reference yield:

1-Chloro-3-(2-ethyl-phenoxy)-propan-2-ol (69076-48-8) → (R,S)-1-(2′-ethylphenoxy)-2,3-epoxy-propane (15620-78-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 - 60 ℃; for 0.666667h;

DOI:10.1021/jm00177a015

upstream raw materials:

1-Chloro-3-(2-ethyl-phenoxy)-propan-2-ol

o-Hydroxyethylbenzene

epichlorohydrin

rac-3-(2-ethylphenoxy)propane-1,2-diol

Downstream raw materials:

1-(2′-ethylphenoxy)-2,3-epoxy-propane

(R)-3-(2'-ethylphenoxy)-propane-1,2-diol

(S)-3-(2'-ethylphenoxy)-propane-1,2-diol

1-(2′-ethylphenoxy)-2,3-epoxy-propane