Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate
• CAS No.: 62071-76-5
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 2918300090
• European Community (EC) Number: 673-437-3
• DSSTox Substance ID: DTXSID40375047
• Wikidata: Q82163590
• Mol file: 62071-76-5.mol

Synonyms:62071-76-5;ethyl 3-(naphthalen-1-yl)-3-oxopropanoate;ethyl 3-(naphthalen-8-yl)-3-oxopropanoate;3-Naphthalen-1-yl-3-oxo-propionic acid ethyl ester;ethyl 3-naphthalen-1-yl-3-oxopropanoate;ethyl 1-naphthoylacetate;b-Oxo-1-naphthalenepropanoic acid ethyl ester;ethyl (1-naphthoyl)acetate;SCHEMBL854153;DTXSID40375047;JFWSFANXHXCJOY-UHFFFAOYSA-N;2-(naphthalene-1-carbonyl)butanoate;MFCD03424836;AKOS009260134;AC-7792;ethyl3-(naphthalen-1-yl)-3-oxopropanoate;1-Naphthalenepropanoicacid,b-oxo-,ethyl ester;F78943;beta-oxo-1-naphthalenepropanoic acid ethyl ester;1-Naphthalenepropanoic acid, b-oxo-, ethyl ester;3-naphthalen-1-yl-3-oxopropanoic acid ethyl ester;3-naphthalen-1-yl-3-oxopropionic acid ethyl ester;A833562;3-naphthalen-1-yl-3-oxo-propionic acid ethyl ester, AldrichCPR

Chemical Property of Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 370 °C at 760 mmHg
• PKA: 9.62±0.50(Predicted)
• Flash Point: 163.5 °C
• PSA: 43.37000
• Density: 1.164 g/cm³
• LogP: 2.97570
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

ETHYL3-(NAPHTHALEN-8-YL)-3-OXOPROPANOATE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate

There total 10 articles about Ethyl 3-(naphthalen-8-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: 80.0%

→ ethyl (1-naphthoyl)acetate (62071-76-5)

Guidance literature:

With sodium hydride; In toluene; mineral oil; for 0.333333h; Reflux;

Reference yield: 66.0%

ethyl potassium malonate (6148-64-7) + naphthalene-1-carbonic acid chloride (879-18-5) → ethyl (1-naphthoyl)acetate (62071-76-5)

Guidance literature:

With MgCl₂; triethylamine; In toluene; acetonitrile;

Reference yield: 46.9%

1-naphthalenecarboxylic acid (86-55-5) + ethyl potassium malonate (6148-64-7) → ethyl (1-naphthoyl)acetate (62071-76-5)

Guidance literature:

1-naphthalenecarboxylic acid; With 1,1'-carbonyldiimidazole; In acetonitrile; at 25 ℃; for 2h;

ethyl potassium malonate; With triethylamine; magnesium chloride; In acetonitrile; at 50 - 70 ℃; for 14h;

upstream raw materials:

1'-naphthacetophenone

Diethyl carbonate

ethyl acetate

ethyl potassium malonate

Downstream raw materials:

7-hydroxy-4-(1-naphthyl)-2H-chromen-2-one

coumarin

1-ethoxy-3-(naphthalen-1-yl)-1,3-dioxopropan-2-yl benzoate

2-(Naphthalene-1-carbonyl)-4-oxo-4-phenyl-butyric acid ethyl ester

Refernces

• 1、 Sanjeev, Karekar,Raju, Silver,Chandrasekhar, Srivari. "Aromaticity-Driven Access to Cycloalkyl-Fused Naphthalenes". supporting information. p. 4013 - 4017. Retrieved 2021/05/29.
• 2、 Ruengsangtongkul, Sureeporn,Chaisan, Nattawadee,Thongsornkleeb, Charnsak,Tummatorn, Jumreang,Ruchirawat, Somsak. "Rate Enhancement in CAN-Promoted Pd(PPh3)2Cl2-Catalyzed Oxidative Cyclization: Synthesis of 2-Ketofuran-4-carboxylate Esters". supporting information. p. 2514 - 2517. Retrieved 2019/04/30.