[[o-(Allyloxy)phenoxy]methyl]oxirane

Base Information

• Chemical Name: [[o-(Allyloxy)phenoxy]methyl]oxirane
• CAS No.: 6452-72-8
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• European Community (EC) Number: 229-258-4
• DSSTox Substance ID: DTXSID20983149
• Nikkaji Number: J225.127B
• Mol file: 6452-72-8.mol

Synonyms:6452-72-8;2-(2-Allyloxy-phenoxymethyl)-oxirane;[[o-(allyloxy)phenoxy]methyl]oxirane;2-(2-Allyloxy-phenoxymethyl)oxirane;2-[(2-prop-2-enoxyphenoxy)methyl]oxirane;2-ALLYLOXY-PHENOXYMETHYLOXIRANE;EINECS 229-258-4;((o-(Allyloxy)phenoxy)methyl)oxirane;34183-66-9;MFCD06658531;2-((2-(allyloxy)phenoxy)methyl)oxirane;[[2-(2-Propenyloxy)phenoxy]methyl]oxirane;o-(allyloxy)phenoxymethyloxirane;SCHEMBL7054912;DTXSID20983149;FZONULHLKBOHHY-UHFFFAOYSA-N;2-(2-Allyloxyphenoxymethyl)-oxirane;AKOS005257187;SB38110;1-(2-allyloxy-phenoxy)-2,3-epoxypropane;1-(o-allyloxy-phenoxy)-2,3-epoxy-propane;CS-0331499;2-[[2-(2-Propenyloxy)phenoxy]methyl]oxirane;2-{[2-(prop-2-en-1-yloxy)phenoxy]methyl}oxirane;2-({2-[(Prop-2-en-1-yl)oxy]phenoxy}methyl)oxirane

Chemical Property of [[o-(Allyloxy)phenoxy]methyl]oxirane

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Boiling Point: 305.1°C at 760 mmHg
• Flash Point: 101.7°C
• PSA: 30.99000
• Density: 1.109g/cm³
• LogP: 2.02900
• Solubility.: Dichloromethane
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

[[2-(2-Propenyloxy)phenoxy]methyl]oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC=CC=C1OCC2CO2
• Uses: An intermediate in the preparation of a β-Adrenergic blocker.

Technology Process of [[o-(Allyloxy)phenoxy]methyl]oxirane

There total 5 articles about [[o-(Allyloxy)phenoxy]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: 80.0%

glycidyl p-toluenesulfonate (118712-54-2,6746-81-2) + 2-allyloxyphenol (1126-20-1) → 1-(2-allyloxyphenoxy)-2,3-epoxypropane (6452-72-8,66966-19-6)

Guidance literature:

2-allyloxyphenol; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃;

glycidyl p-toluenesulfonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0957-4166(00)00254-8

Reference yield: 74.0%

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) + 2-allyloxyphenol (1126-20-1) → 1-(2-allyloxyphenoxy)-2,3-epoxypropane (6452-72-8,66966-19-6)

Guidance literature:

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

DOI:10.1002/anie.201402653

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1-(2-allyloxyphenoxy)-2,3-epoxypropane (6452-72-8,66966-19-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

2: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

With sodium hydride; In N,N-dimethyl-formamide; mineral oil;

DOI:10.1002/anie.201402653

upstream raw materials:

epichlorohydrin

2-allyloxyphenol

glycidyl p-toluenesulfonate

benzene-1,2-diol

Downstream raw materials:

1-(2-Allyloxy-phenoxy)-3-(2-amino-ethylamino)-propan-2-ol

N-{2-[3-(2-Allyloxy-phenoxy)-2-hydroxy-propylamino]-ethyl}-isobutyramide

N-{2-[3-(2-Allyloxy-phenoxy)-2-hydroxy-propylamino]-propyl}-2-phenyl-acetamide

1-(2-Allyloxy-phenoxy)-3-{6-[3-(2-allyloxy-phenoxy)-2-hydroxy-propylamino]-hexylamino}-propan-2-ol