1-Fluoro-2-methylnaphthalene

Base Information

• Chemical Name: 1-Fluoro-2-methylnaphthalene
• CAS No.: 573-99-9
• Molecular Formula: C₁₁H₉F
• Molecular Weight: 160.191
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID90577453
• Nikkaji Number: J432.226F
• Wikidata: Q82467477
• Mol file: 573-99-9.mol

Synonyms:1-fluoro-2-methylnaphthalene;573-99-9;1-fluoro-2-methyl-naphthalene;SCHEMBL2218180;DTXSID90577453;AKOS006289570;AC-17619;AM20040744

Chemical Property of 1-Fluoro-2-methylnaphthalene

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 246.63°C at 760 mmHg
• Flash Point: 84.263°C
• PSA: 0.00000
• Density: 1.112g/cm³
• LogP: 3.28730
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.068828449
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%Min ^*data from raw suppliers

1-Fluoro-2-methylnaphthalene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C=C1)F

Technology Process of 1-Fluoro-2-methylnaphthalene

There total 6 articles about 1-Fluoro-2-methylnaphthalene 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: 76.0%

1-bromo-2-methylnaphtalene (2586-62-1) → 1-Fluoro-2-methylnaphthalene (573-99-9)

Guidance literature:

1-bromo-2-methylnaphtalene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran; at -78 - 20 ℃; for 2h;

DOI:10.1021/jm049256w

Reference yield: 67.0%

1-amino-2-methylnaphthalene (2246-44-8) → 1-Fluoro-2-methylnaphthalene (573-99-9)

Guidance literature:

1-amino-2-methylnaphthalene; With tetrafluoroboric acid; sodium nitrite; for 0.5h; Cooling with ice;

In toluene; at 90 ℃; for 3h;

Reference yield: 45.5%

2-Methylnaphthalene (91-57-6,34468-07-0) → 2-(fluoromethyl)naphthalene (55831-11-3) + 1-Fluoro-2-methylnaphthalene (573-99-9)

Guidance literature:

With caesium fluoroxysulphate; In acetonitrile; at 35 - 40 ℃; for 1h;

DOI:10.1021/jo00026a032

upstream raw materials:

2-Methylnaphthalene

1-amino-2-methylnaphthalene

1-bromo-2-methylnaphtalene

Downstream raw materials:

trans-1-<1-Fluor-naphthyl-(2)>-2-phenyl-aethylen

trans-1-<1-Fluor-naphthyl-(2)>-2--aethylen

trans-1-<1-Fluor-naphthyl-(2)>-2-(p-tolyl)-aethylen

3-benzyloxy-4-[(1-fluoro-2-naphthyl)hydroxymethyl]-5-(1-methoxycarbonyl-4-piperidyl)isoxazol

Refernces

• 1、 Fr?lund, Bente,Jensen, Lars S.,Guandalini, Luca,Canillo, Carolina,Vestergaard, Henrik T.,Kristiansen, Uffe,Nielsen, Birgitte,Stensb?l, Tine B.,Madsen, Christian,Krogsgaard-Larsen, Povl,Liljefors, Tommy. "Potent 4-aryl- or 4-arylalkyl-substituted 3-isoxazolol GABAA antagonists: Synthesis, pharmacology, and molecular modeling". . p. 427 - 439. Retrieved 2007/10/03.
• 2、 Stavber, Stojan,Zupan, Marko. "Mild Fluorofunctionalization of Side Chains in Alkyl-Substituted Aromatics by Cesium Fluoroxysulfate". . p. 7347 - 7350. Retrieved 2007/10/02.