2-Propanone, 1-(2-naphthalenyl)-

Base Information

• Chemical Name: 2-Propanone, 1-(2-naphthalenyl)-
• CAS No.: 21567-68-0
• Molecular Formula: C13H12O
• Molecular Weight: 184.23400
• DSSTox Substance ID: DTXSID30472115
• Nikkaji Number: J633.277C
• Wikidata: Q82300899
• Mol file: 21567-68-0.mol

Synonyms:21567-68-0;2-Propanone, 1-(2-naphthalenyl)-;1-(2-Naphthyl)propanone;1-(NAPHTHALEN-2-YL)PROPAN-2-ONE;1-naphthalen-2-ylpropan-2-one;1-(2-Naphthyl)-2-propanone;1-(2-naphthyl)acetone;SCHEMBL265881;1-naphthalen-2-yl-propan-2-one;DTXSID30472115;OKQHKXIGCVUSRM-UHFFFAOYSA-N;MFCD11131896;AKOS000215969

Chemical Property of 2-Propanone, 1-(2-naphthalenyl)-

Chemical Property:

• Melting Point: 37-37.5 °C
• Boiling Point: 131.5-132.5 °C(Press: 1.5 Torr)
• PSA: 17.07000
• Density: 1.083±0.06 g/cm3(Predicted)
• LogP: 2.97130
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

1-(naphthalen-2-yl)propan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CC1=CC2=CC=CC=C2C=C1

Technology Process of 2-Propanone, 1-(2-naphthalenyl)-

There total 35 articles about 2-Propanone, 1-(2-naphthalenyl)- 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: 98.0%

(2S,3S)-2-Methyl-3-naphthalen-2-yl-oxirane → 1-(naphthalen-2-yl)propan-2-one (21567-68-0)

Guidance literature:

With palladium diacetate; tributylphosphine; In tert-butyl alcohol; for 0.166667h; Product distribution; Heating; other solvent, reagent, reaction time;

DOI:10.1021/jo970743b

Reference yield: 96.0%

2-methyl-3-(naphthalen-2-yl)oxirane → 1-(naphthalen-2-yl)propan-2-one (21567-68-0)

Guidance literature:

With gold(III) chloride; silver hexafluoroantimonate; In 1,4-dioxane; at 20 ℃; for 0.0833333h; regioselective reaction;

DOI:10.1016/j.tetlet.2012.07.056

Reference yield: 91.0%

2-chloronaphthalene (91-58-7) + acetone (67-64-1) → 1-(naphthalen-2-yl)propan-2-one (21567-68-0)

Guidance literature:

With potassium phosphate; 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; at 90 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b02344

upstream raw materials:

acetone enolate ion

2-bromonaphthalene

acetyl chloride

2-bromomethylnaphthyl bromide

Downstream raw materials:

2-(1-methyl-2-naphthalen-2-yl-butylidene)-malononitrile

rac-N-benzyl-1-(naphth-2-yl)propan-2-amine

(R)-2-methyl-2-(naphthalen-2-yl)-4-(1-phenyl-1H-tetrazol-5-ylsulfonyl)butanal

2-methyl-2-(naphthalen-2-yl)-4-(1-phenyl-1H-tetrazol-5-ylsulfonyl)butanal