1-[3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone

Base Information

• Chemical Name: 1-[3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone
• CAS No.: 69114-02-9
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.241
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID30392349
• Mol file: 69114-02-9.mol

Synonyms:69114-02-9;1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone;1-(3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl)ethanone;1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethan-1-one;DTXSID30392349;AKOS000117516;CS-0221752;EN300-09949;ethyl 3-cyclopentyl-4-nitroisoxazole-5-carboxylate;SR-01000071688;SR-01000071688-1;Z94598486;1-{3-methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one

Chemical Property of 1-[3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone

Chemical Property:

• Vapor Pressure: 2.96E-05mmHg at 25°C
• Boiling Point: 356.3°C at 760 mmHg
• Flash Point: 158.6°C
• PSA: 48.06000
• Density: 1.174g/cm³
• LogP: 1.67540
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OCC2CO2)OC

Technology Process of 1-[3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone

There total 1 articles about 1-[3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone 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:

1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → <3-methoxy-4-(oxiranylmethoxy)phenyl>ethanone (69114-02-9)

Guidance literature:

1-(3-methoxy-4-hydroxyphenyl)ethanone; epichlorohydrin; With N-benzyl-N,N,N-triethylammonium chloride; at 90 ℃; for 3h;

With sodium hydroxide; In water; at 30 ℃; for 0.5h;

DOI:10.1039/c5gc01070e

Reference yield: 48.0%

1,1-bis(4-fluorophenyl)-1-(4-piperidinyl)methanol (60284-98-2) + <3-methoxy-4-(oxiranylmethoxy)phenyl>ethanone (69114-02-9) → 1-<4-<3-<4--1-piperidinyl>-2-hydroxypropoxy>-3-methoxyphenyl>ethanone (117023-89-9)

Guidance literature:

In ethanol; ethyl acetate; a) room temperature, 16 h, b) reflux, 3 h;

DOI:10.1021/jm00121a022

upstream raw materials:

1-(3-methoxy-4-hydroxyphenyl)ethanone

epichlorohydrin

Downstream raw materials:

1-<4-<3-<4--1-piperidinyl>-2-hydroxypropoxy>-3-methoxyphenyl>ethanone

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