4-(1-Naphthalenyl)-3-buten-2-one

Base Information

• Chemical Name: 4-(1-Naphthalenyl)-3-buten-2-one
• CAS No.: 66920-75-0
• Molecular Formula: C14H12O
• Molecular Weight: 196.249
• DSSTox Substance ID: DTXSID801302835
• Mol file: 66920-75-0.mol

Synonyms:OYYZOYHZDFGMKD-UHFFFAOYSA-N;DTXSID801302835;4-(1-Naphthalenyl)-3-buten-2-one;AKOS017414080

Chemical Property of 4-(1-Naphthalenyl)-3-buten-2-one

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Boiling Point: 370°C at 760 mmHg
• Flash Point: 140.7°C
• PSA: 17.07000
• Density: 1.101g/cm³
• LogP: 3.44200
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.088815002
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(1-Naphthalenyl)-3-buten-2-one

There total 5 articles about 4-(1-Naphthalenyl)-3-buten-2-one 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-naphthaldehyde (66-77-3) + acetone (67-64-1) → 4-(naphthalen-1-yl)but-3-en-2-one (66920-75-0)

Guidance literature:

With sodium hydroxide; for 72h; Ambient temperature;

DOI:10.1021/jm00097a001

Reference yield: 53.0%

tris(1-naphthyl)stilbane (27309-70-2) + methyl vinyl ketone (78-94-4,25038-87-3) → 1,1'-bisnaphthalene (604-53-5) + 4-(naphthalen-1-yl)but-3-en-2-one (66920-75-0) + 4-(1-naphthyl)-2-butanone (3506-84-1)

Guidance literature:

With silver(I) acetate; palladium diacetate; In acetic acid; at 25 ℃; for 24h;

DOI:10.1016/0040-4039(94)88042-5

Reference yield:

1-naphthanilide (6833-19-8) → 4-(naphthalen-1-yl)but-3-en-2-one (66920-75-0)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus pentachloride; tetrachloroethane / 140 - 150 °C / Eintragen des Reaktionsprodukts in eine mit Chlorwasserstoff gesaettigte aetherische Loesung von Zinn(II)-chlorid und Destillieren mit Wasserdampf

2: diluted NaOH-solution

With sodium hydroxide; phosphorus pentachloride; 1,1,2,2-tetrachloroethane;

upstream raw materials:

1-naphthaldehyde

acetone

tris(1-naphthyl)stilbane

methyl vinyl ketone

Downstream raw materials:

4-(1-naphthyl)-2-butanone

5-(naphthalene-1-yl)cyclohexane-1,3-dione

1-(3,5-dichloro-phenyl)-naphthalene

3-chloro-5-[1]naphthyl-cyclohex-2-enone