Ethyl 4-(1-naphthyl)-4-oxobutyrate

Base Information

• Chemical Name: Ethyl 4-(1-naphthyl)-4-oxobutyrate
• CAS No.: 73931-66-5
• Molecular Formula: C₁₆H₁₆O₃
• Molecular Weight: 256.301
• Hs Code.: 2918300090
• NSC Number: 31354
• DSSTox Substance ID: DTXSID60283418
• Nikkaji Number: J2.471.514K
• Wikidata: Q82017980
• Mol file: 73931-66-5.mol

Synonyms:ETHYL 4-(1-NAPHTHYL)-4-OXOBUTYRATE;73931-66-5;ethyl 4-naphthalen-1-yl-4-oxobutanoate;ethyl 4-(naphthalen-1-yl)-4-oxobutanoate;MFCD01320262;NSC31354;DTXSID60283418;NSC 31354;NSC-31354;AKOS005944129;ETHYL4-(1-NAPHTHYL)-4-OXOBUTYRATE;4-Oxo-4-(1-naphthyl)butyric acid ethyl ester

Chemical Property of Ethyl 4-(1-naphthyl)-4-oxobutyrate

Chemical Property:

• Vapor Pressure: 3.06E-07mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 419.3 °C at 760 mmHg
• Flash Point: 186.6 °C
• PSA: 43.37000
• Density: 1.141 g/cm³
• LogP: 3.36580
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-(1-naphthyl)-4-oxobutyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-(1-naphthyl)-4-oxobutyrate

There total 7 articles about Ethyl 4-(1-naphthyl)-4-oxobutyrate 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: 78.0%

1-Iodonaphthalene (90-14-2) + ethyl acrylate (140-88-5,9003-32-1) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → ethyl 4-(naphthalen-1-yl)-4-oxobutanoate (73931-66-5)

Guidance literature:

In N,N-dimethyl-formamide; at 160 ℃; for 1h;

DOI:10.1055/s-2007-973858

Reference yield: 71.0%

1-Bromonaphthalene (90-11-9) + ethyl acrylate (140-88-5,9003-32-1) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → ethyl 4-(naphthalen-1-yl)-4-oxobutanoate (73931-66-5)

Guidance literature:

In N,N-dimethyl-formamide; at 160 ℃; for 6h;

DOI:10.1055/s-2007-973858

Reference yield:

succinic acid anhydride (108-30-5) + naphthalene (91-20-3,71998-51-1,72931-45-4) + ethanol (64-17-5) → Ethyl 4-(2-naphthyl)-4-oxobutanoate (25370-42-7) + ethyl 4-(naphthalen-1-yl)-4-oxobutanoate (73931-66-5)

Guidance literature:

succinic acid anhydride; naphthalene; With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

ethanol; With hydrogenchloride; In water; at 40 ℃; for 72h;

DOI:10.1039/c3nj00519d

upstream raw materials:

2-ethoxypyrrolin-5-one

1-Bromonaphthalene

ethyl 3-iodopropanoate

naphthalene-1-carbonic acid chloride

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