Methyl 3-(naphthalen-1-yl)-3-oxopropanoate

Base Information

• Chemical Name: Methyl 3-(naphthalen-1-yl)-3-oxopropanoate
• CAS No.: 226931-47-1
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• European Community (EC) Number: 673-441-5
• Nikkaji Number: J1.871.258J
• Mol file: 226931-47-1.mol

Synonyms:226931-47-1;methyl 3-(naphthalen-1-yl)-3-oxopropanoate;3-Naphthalen-1-yl-3-oxo-propionic acid methyl ester;3-NAPHTHALEN-1-YL-3-OXO-PROPIONIC ACID METHYLESTER;methyl 3-naphthalen-1-yl-3-oxopropanoate;SCHEMBL6926548;XCZRXPQKBYZZEY-UHFFFAOYSA-N;BJA93147;MFCD03424748;AKOS017550176;CS-0302065;FT-0705342;methyl 3-(naphthalen-1-yl)-3-oxopropionate;3-Naphthalen-1-yl-3-oxo-propionicacidmethylester;EN300-1827395;3-(1-Naphthyl)-3-oxopropanoic acid methyl ester;3-naphthalen-1-yl-3-oxopropanoic acid methyl ester

Chemical Property of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.58560
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

98% ^*data from raw suppliers

3-Naphthalen-1-yl-3-oxo-propionicacidmethylester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CC(=O)C1=CC=CC2=CC=CC=C21

Technology Process of Methyl 3-(naphthalen-1-yl)-3-oxopropanoate

There total 5 articles about Methyl 3-(naphthalen-1-yl)-3-oxopropanoate 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: 92.0%

1'-naphthacetophenone (941-98-0) + carbonic acid dimethyl ester (616-38-6) → 3-(naphthalen-1-yl)-3-carbonylpropionic acid methyl ester (226931-47-1)

Guidance literature:

carbonic acid dimethyl ester; With sodium hydride; at 20 ℃; Inert atmosphere;

1'-naphthacetophenone; for 4h; Inert atmosphere; Reflux;

DOI:10.1039/c1cc14926a

Reference yield: 70.0%

1-naphthalenecarboxylic acid (86-55-5) + magnesium monomethyl malonate → 3-(naphthalen-1-yl)-3-carbonylpropionic acid methyl ester (226931-47-1)

Guidance literature:

1-naphthalenecarboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 10h;

magnesium monomethyl malonate; In tetrahydrofuran; at 20 ℃; for 18h; Further stages.;

DOI:10.1002/adsc.200390021

Reference yield: 70.0%

acetoacetic acid methyl ester (105-45-3) + (1H-benzo[d][1,2,3]triazol-1-yl)(naphthalen-1-yl)methanone (306990-95-4) → 3-(naphthalen-1-yl)-3-carbonylpropionic acid methyl ester (226931-47-1)

Guidance literature:

With samarium; iodine; In tetrahydrofuran; for 20h; Heating;

DOI:10.1080/00397910701263684

upstream raw materials:

1-naphthalenecarboxylic acid

acetoacetic acid methyl ester

(1H-benzo[d][1,2,3]triazol-1-yl)(naphthalen-1-yl)methanone

1'-naphthacetophenone

Downstream raw materials:

5-naphthalen-1-yl-2-phenyl-1,2-dihydro-pyrazol-3-one

3-(naphthalene-1-yl)-3-oxopropanoic acid

1-cyclopropyl-naphthalene

(R,Z)-methyl 3-(naphthalen-1-yl)-3-(1-phenylethylamino)acrylate

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