((o-Allylphenoxy)methyl)oxirane

Base Information

• Chemical Name: ((o-Allylphenoxy)methyl)oxirane
• CAS No.: 4638-04-4
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Hs Code.: 2910900090
• European Community (EC) Number: 225-064-9
• NSC Number: 130121
• Nikkaji Number: J175.827F
• Mol file: 4638-04-4.mol

Synonyms:4638-04-4;((o-Allylphenoxy)methyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane;2-[(2-allylphenoxy)methyl]oxirane;2-[2-(prop-2-en-1-yl)phenoxymethyl]oxirane;2-{[2-(prop-2-en-1-yl)phenoxy]methyl}oxirane;2-((2-allylphenoxy)methyl)oxirane;[(O-ALLYLPHENOXY)METHYL]OXIRANE;NSC130121;o-allylphenyl glycidyl ether;2-allylphenyl glycidyl ether;o-allyl phenyl glycidyl ether;SCHEMBL251705;1-Allyl-2-(glycidyloxy)benzene;EINECS 225-064-9;BBL028234;STK802053;1-(2-allylphenoxy)-2,3-epoxypropane;AKOS001176755;AKOS016051065;NSC 130121;NSC-130121;1,2-Epoxy-3-(2-Allylphenoxy)-Propane;VS-08701;EN300-22505;Z147642838

Chemical Property of ((o-Allylphenoxy)methyl)oxirane

Chemical Property:

• Vapor Pressure: 0.00705mmHg at 25°C
• Boiling Point: 278.8°Cat760mmHg
• Flash Point: 108.2°C
• PSA: 21.76000
• Density: 1.067g/cm³
• LogP: 2.19270
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

((o-Allylphenoxy)methyl)oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=CC=C1OCC2CO2

Technology Process of ((o-Allylphenoxy)methyl)oxirane

There total 8 articles about ((o-Allylphenoxy)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: 97.0%

o-Allylphenol (1745-81-9) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1-(2-allylphenoxy)-2,3-epoxypropane (4638-04-4)

Guidance literature:

o-Allylphenol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.5h; Inert atmosphere;

epichlorohydrin; In N,N-dimethyl-formamide; mineral oil; at 60 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c8md00412a

Reference yield:

1-(2-allyl-phenoxy)-3-chloro-propan-2-ol (49716-04-3) → 1-(2-allylphenoxy)-2,3-epoxypropane (4638-04-4)

Guidance literature:

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

DOI:10.1021/jm00177a015

Reference yield:

o-Allylphenol (1745-81-9) + 1,2-Epoxy-3-bromopropane (3132-64-7,82584-73-4) → 1-(2-allylphenoxy)-2,3-epoxypropane (4638-04-4)

Guidance literature:

With potassium carbonate; In butanone; at 80 ℃;

DOI:10.1016/j.bmcl.2010.04.009 DOI:10.1016/j.bmcl.2010.08.039

upstream raw materials:

o-Allylphenol

epichlorohydrin

1-(2-allyl-phenoxy)-3-chloro-propan-2-ol

allyl phenyl ether

Downstream raw materials:

1-[[2-(3-indolyl)-1,1-dimethylethyl]amino]-3-[2-(2-propenyl)phenoxy]-2-propanol

alprenolol

(S)-3-(2-allylphenoxy)propane-1,2-diol

(S)1-(2’-allylphenoxy)-2,3-epoxypropane

Refernces

Alkylating β-blockers: Activity of isomeric bromoacetyl alprenolol menthanes

10.1021/jm00149a028

The research aimed to isolate, elucidate the structures of, and characterize the interactions of four isomers of N-(bromoacetyl)-N'-[3-(o-allylphenoxy)-2-hydroxypropyl]-1,8-diamino-p-menthane (BAAM) with β-adrenoceptors. The purpose was to understand their activity as alkylating β-blockers and their potential use in affinity labeling of β-adrenoceptors, which is a technique valuable for biochemical and physiological studies of these proteins. The study concluded that the isomer with the aromatic group on carbon 1 of p-menthane and with the 2 configuration (2-1) had the highest affinity for β-adrenoceptors in rat heart and lungs and acted as a ligand that binds irreversibly at the drug binding site of the receptor. Other isomers also showed affinity for the receptors, though with varying degrees of effectiveness and impact on receptor affinity. Key chemicals used in the process included 1,8-diamino-p-menthane, o-allylphenyl glycidyl ether, bromoacetyl bromide, and various solvents and reagents for the synthesis, purification, and testing of the isomers.

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