5-Methyl-2-tetralone

Base Information

• Chemical Name: 5-Methyl-2-tetralone
• CAS No.: 4242-15-3
• Molecular Formula: C₁₁H₁₂O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID70399872
• Nikkaji Number: J2.753.036B
• Wikidata: Q72491103
• Mol file: 4242-15-3.mol

Synonyms:5-Methyl-2-tetralone;4242-15-3;5-methyl-3,4-dihydro-1H-naphthalen-2-one;5-Methyl-3,4-dihydronaphthalen-2(1H)-one;5-methyl-1,2,3,4-tetrahydronaphthalen-2-one;5-Methyltetralin-2-one;SCHEMBL4602959;DTXSID70399872;AM9320;MFCD04038677;AKOS006295665;GS-6097;H10281

Chemical Property of 5-Methyl-2-tetralone

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Boiling Point: 288.3 °C at 760 mmHg
• Flash Point: 121.8 °C
• PSA: 17.07000
• Density: 1.074 g/cm³
• LogP: 2.05280
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

98%Min ^*data from raw suppliers

5-Methyl-3,4-dihydronaphthalen-2(1H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CCC(=O)CC2=CC=C1

Technology Process of 5-Methyl-2-tetralone

There total 13 articles about 5-Methyl-2-tetralone 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: 87.0%

C15H24O3 (1190847-94-9) → 5-methyl-2-tetralone (4242-15-3)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2009.07.129

Reference yield: 86.0%

4-Methyl-3,8a-dihydroazulen-1(2H)-one (90266-04-9) → 5-methyl-2-tetralone (4242-15-3)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1039/c39840000129

Reference yield: 84.0%

rhodium (11) acetate dimer + 1-Diazo-4-(2-methylphenyl)butan-2-one (90266-00-5) → 5-methyl-2-tetralone (4242-15-3)

Guidance literature:

With sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane;

upstream raw materials:

5-Methyl-2-naphthol

4-Methyl-3,8a-dihydroazulen-1(2H)-one

ethene

2-(3-methylphenyl)acetyl chloride

Downstream raw materials:

2-amino-5-methyl-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid

Refernces

• 1、 Hon, Yung-Son,Devulapally, Rammohan. "A concise method for the synthesis of 2-tetralone by titanium tetrachloride-promoted cyclization of 4-aryl-2-hydroxybutanal diethyl acetal". scheme or table. p. 5713 - 5715. Retrieved 2009/12/09.
• 2、 -. "Selective cyclic peptides with melanocortin-4 receptor (MC4-R) agonist activity". . . Retrieved 2008/06/13.