Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate

Base Information

• Chemical Name: Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate
• CAS No.: 52244-81-2
• Molecular Formula: C26H42 O4
• Molecular Weight: 418.617
• Hs Code.: 2918990090
• European Community (EC) Number: 257-783-9
• NSC Number: 151165
• DSSTox Substance ID: DTXSID20200287
• Nikkaji Number: J295.622E
• Wikidata: Q83073365
• ChEMBL ID: CHEMBL3273752
• Mol file: 52244-81-2.mol

Synonyms:52244-81-2;Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate;methyl 3-[p-(hexadecyloxy)phenyl]-3-oxopropionate;EINECS 257-783-9;NSC151165;CHEMBL3273752;DTXSID20200287;AKOS024430200;NSC 151165;NSC-151165;METHYL 4-(HEXADECYLOXY)BENZOYLACETATE;4-Hexadecyloxy-beta-oxobenzenepropionic acid methyl ester

Chemical Property of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate

Chemical Property:

• Vapor Pressure: 8.68E-11mmHg at 25°C
• Boiling Point: 516.8°Cat760mmHg
• Flash Point: 217.4°C
• PSA: 52.60000
• Density: 0.975g/cm³
• LogP: 7.29250
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 418.30830982
• Heavy Atom Count: 30
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

METHYL 4-(HEXADECYLOXY)BENZOYLACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)OC

Technology Process of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate

There total 4 articles about Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate 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:

hexadecanyl bromide (112-82-3) → 3-(4-hexadecyloxy-phenyl)-3-oxo-propionic acid methyl ester (52244-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / dimethylformamide

2: CO₂ / dimethylformamide

With carbon dioxide; sodium methylate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00216a009

Reference yield:

4-Hydroxyacetophenone (99-93-4) → 3-(4-hexadecyloxy-phenyl)-3-oxo-propionic acid methyl ester (52244-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / dimethylformamide

2: CO₂ / dimethylformamide

With carbon dioxide; sodium methylate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00216a009

Reference yield:

4-(hexadecyloxy)acetophenone (17788-58-8) + magnesium methyl carbonate (4861-79-4) → 3-(4-hexadecyloxy-phenyl)-3-oxo-propionic acid methyl ester (52244-81-2)

Guidance literature:

With carbon dioxide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00216a009

upstream raw materials:

4-(hexadecyloxy)acetophenone

magnesium methyl carbonate

hexadecanyl bromide

4-Hydroxyacetophenone

Downstream raw materials:

2-[3-(4-hexadecyloxy-phenyl)-3-oxo-propionylamino]-4-phenyl-thiazole-5-sulfonyl fluoride

4-{2-[3-(4-hexadecyloxy-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride

3-{2-[3-(4-hexadecyloxy-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride