1-[2-Hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethan-1-one

Base Information

• Chemical Name: 1-[2-Hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethan-1-one
• CAS No.: 57161-85-0
• Molecular Formula: C14H18O4
• Molecular Weight: 250.29
• European Community (EC) Number: 655-175-1
• DSSTox Substance ID: DTXSID60379466
• Mol file: 57161-85-0.mol

Synonyms:1-[2-hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethan-1-one;57161-85-0;1-[2-hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethanone;SCHEMBL6136912;DTXSID60379466;MFQPJCQHHKUDNM-UHFFFAOYSA-N;AKOS024417662;3-(4-acetyl-3-hydroxy-2-propylphenoxy)-1,2-epoxypropane;1-[2-hydroxy-4-(2-oxiranylmethoxy)-3-propylphenyl]ethanone;3-(2-n-propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane

Chemical Property of 1-[2-Hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethan-1-one

Chemical Property:

• Melting Point: 54–55°C
• PSA: 59.06000
• LogP: 2.32490
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

1-[2-HYDROXY-4-(OXIRAN-2-YLMETHOXY)-3-PROPYLPHENYL]ETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCC2CO2

Technology Process of 1-[2-Hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethan-1-one

There total 2 articles about 1-[2-Hydroxy-4-(oxiran-2-ylmethoxy)-3-propylphenyl]ethan-1-one 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-(2,4-dihydroxy-3-propylphenyl)ethanone (40786-69-4) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane (57161-85-0)

Guidance literature:

With potassium carbonate; In butan-1-ol; for 10h; Yield given; Heating;

DOI:10.1135/cccc19980103

Reference yield:

→ 3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane (57161-85-0)

Guidance literature:

DOI:10.1021/jm00213a012

Reference yield: 78.0%

3-(2-n-Propyl-3-hydroxy-4-acetylphenoxy)-1,2-epoxypropane (57161-85-0) + N-(trifluoroacetyl)-L-cysteinylglycine methyl ester (75290-62-9) → N--N-(trifluoroacetyl)-L-cysteinyl>glycine methyl ester (118683-85-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; methanol; for 36h; Ambient temperature;

DOI:10.1021/jm00124a014

upstream raw materials:

1-(2,4-dihydroxy-3-propylphenyl)ethanone

epichlorohydrin

Downstream raw materials:

2-<3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy>-6-nitrobenzonitrile

N-{3-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-propyl-phenyl}-acetamide

N--N-(trifluoroacetyl)-L-cysteinyl>glycine methyl ester

4-{4-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propylsulfanyl]-3-fluoro-phenyl}-4-oxo-butyric acid methyl ester

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