1-(6-Methylnaphthalen-2-yl)propan-1-one

Base Information

• Chemical Name: 1-(6-Methylnaphthalen-2-yl)propan-1-one
• CAS No.: 69750-34-1
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• DSSTox Substance ID: DTXSID60526852
• Nikkaji Number: J2.559.467C
• Wikidata: Q82395736
• Mol file: 69750-34-1.mol

Synonyms:1-(6-Methylnaphthalen-2-yl)propan-1-one;69750-34-1;2-Methyl-6-propionylnaphthalene;SCHEMBL10456611;2-methyl-6-propionyl naphthalene;DTXSID60526852;AKOS025149422

Chemical Property of 1-(6-Methylnaphthalen-2-yl)propan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.74090
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)C

Technology Process of 1-(6-Methylnaphthalen-2-yl)propan-1-one

There total 4 articles about 1-(6-Methylnaphthalen-2-yl)propan-1-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: 91.0%

propionyl chloride (79-03-8) + 2-Methylnaphthalene (91-57-6,34468-07-0) → 2-methyl-6-propanoyl naphthalene (69750-34-1)

Guidance literature:

propionyl chloride; 2-Methylnaphthalene; With aluminum (III) chloride; nitrobenzene; at 35 ℃; for 2h;

In water; at 40 ℃; Temperature; Solvolysis;

Reference yield: 70.0%

propionyl fluoride (430-71-7) + 2-Methylnaphthalene (91-57-6,34468-07-0) → 2-methyl-6-propanoyl naphthalene (69750-34-1)

Guidance literature:

With boron trifluoride; In dichloromethane; at 0 - 10 ℃; for 1h;

DOI:10.1021/jo00176a034

Reference yield:

4,4-Dimethoxy-3-[1-p-tolyl-meth-(E)-ylidene]-pentan-2-one (119757-21-0) → 6-methyl-2-acetonaphthone (5156-83-2) + 2-methyl-6-propanoyl naphthalene (69750-34-1)

Guidance literature:

at 475 - 500 ℃; Yield given. Yields of byproduct given; vapor-phase pyrolysis;

DOI:10.1021/jo00288a054

upstream raw materials:

propionyl chloride

2-Methylnaphthalene

4,4-Dimethoxy-3-[1-p-tolyl-meth-(E)-ylidene]-pentan-2-one

propionyl fluoride

Downstream raw materials:

2,6-Naphthalenedicarboxylic acid

dimethyl 2,6-naphthalenedicarboxylate

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