Ethyl 4-(naphthalen-1-yl)-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 4-(naphthalen-1-yl)-3-oxobutanoate
• CAS No.: 189057-82-7
• Molecular Formula: C16H16 O3
• Molecular Weight: 256.301
• DSSTox Substance ID: DTXSID70443485
• Wikidata: Q82261345
• Mol file: 189057-82-7.mol

Synonyms:189057-82-7;ethyl 4-(naphthalen-1-yl)-3-oxobutanoate;ethyl 4-naphthalen-1-yl-3-oxobutanoate;4-NAPHTHALEN-1-YL-3-OXO-BUTYRIC ACID ETHYL ESTER;1-Naphthalenebutanoic acid, beta-oxo-, ethyl ester;SCHEMBL8366149;DTXSID70443485;MFCD03844428;AKOS027381133

Chemical Property of Ethyl 4-(naphthalen-1-yl)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 388.095°C at 760 mmHg
• Flash Point: 171.212°C
• PSA: 43.37000
• Density: 1.149g/cm³
• LogP: 2.90460
• XLogP3: 3.2
• 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:

97% ^*data from raw suppliers

ethyl4-(naphthalen-4-yl)-3-oxobutanoate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)CC1=CC=CC2=CC=CC=C21

Technology Process of Ethyl 4-(naphthalen-1-yl)-3-oxobutanoate

There total 1 articles about Ethyl 4-(naphthalen-1-yl)-3-oxobutanoate 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: 28.0%

naphthalen-1-yl-acetyl chloride (5121-00-6) + cycl-isopropylidene malonate (2033-24-1) + ethanol (64-17-5) → ethyl 2-(1-naphthyl)acetate (2122-70-5) + ethyl 4-(1-naphthyl)-3-oxobutanoate (189057-82-7)

Guidance literature:

naphthalen-1-yl-acetyl chloride; cycl-isopropylidene malonate; With pyridine; In dichloromethane; at 0 - 20 ℃; for 16.5h;

ethanol; for 2h; Reflux;

DOI:10.1007/s11172-011-0019-9

Reference yield: 34.0%

benzalacetophenone (94-41-7) + ethyl 4-(1-naphthyl)-3-oxobutanoate (189057-82-7) → ethyl 6'-(1-naphthyl)-5'-oxo-2',3',4',5'-tetrahydro[1,1':3',1''-terphenyl]-4'-carboxylate

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.1055/s-0036-1588908

Reference yield: 30.0%

C13H13BrN2O + ethyl 4-(1-naphthyl)-3-oxobutanoate (189057-82-7) → 3-(1,5-dimethyl-2-phenyl-1H-imidazol-4-yl)-2-(naphthalen-1-yl)cyclopent-2-en-1-one

Guidance literature:

ethyl 4-(1-naphthyl)-3-oxobutanoate; With sodium; In benzene; for 2h;

C₁₃H₁₃BrN₂O; In benzene;

With potassium hydroxide; In ethanol; water;

DOI:10.1039/d0ob00296h

upstream raw materials:

naphthalen-1-yl-acetyl chloride

cycl-isopropylidene malonate

ethanol

Refernces