1-Fluoro-7-methoxynaphthalene

Base Information

• Chemical Name: 1-Fluoro-7-methoxynaphthalene
• CAS No.: 13791-03-2
• Molecular Formula: C₁₁H₉FO
• Molecular Weight: 176.19
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10456872
• Wikidata: Q82279463
• Mol file: 13791-03-2.mol

Synonyms:1-fluoro-7-methoxynaphthalene;13791-03-2;1-fluoro-7-methoxy-naphthalene;SCHEMBL5981374;DTXSID10456872;UEDDMVOEGYUUGI-UHFFFAOYSA-N;AKOS006332291;CS-0337515;A18189

Chemical Property of 1-Fluoro-7-methoxynaphthalene

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 272.303°C at 760 mmHg
• Flash Point: 102.473°C
• PSA: 9.23000
• Density: 1.161g/cm³
• LogP: 2.98750
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.063743068
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

1-Fluoro-7-methoxynaphthalene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CC=C2F)C=C1

Technology Process of 1-Fluoro-7-methoxynaphthalene

There total 11 articles about 1-Fluoro-7-methoxynaphthalene 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: 66.0%

C11H9N2O(1+)*BF4(1-) → 1-fluoro-7-methoxynaphthalene (13791-03-2)

Guidance literature:

In xylene; for 1h; Heating;

DOI:10.1021/jo00143a035

Reference yield: 51.0%

7-methoxynaphthalen-1-amine (5302-79-4) → 1-fluoro-7-methoxynaphthalene (13791-03-2)

Guidance literature:

With hydrogenchloride; tetrafluoroboric acid; sodium nitrite; In water;

DOI:10.1021/ml100077x

Reference yield:

8-amino-2-naphthol (118-46-7) → 1-fluoro-7-methoxynaphthalene (13791-03-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: methanol / 1.5 h / Heating

2.1: K₂CO₃ / acetone / 6 h / Heating

3.1: aq. HCl / 5 h / Heating

4.1: aq. HCl; NaNO₂ / 0.5 h / 10 °C

4.2: aq. HBF₄

4.3: xylene / 1 h / Heating

With hydrogenchloride; potassium carbonate; sodium nitrite; In methanol; acetone;

DOI:10.1021/jm058173s

upstream raw materials:

1-fluoro-7-hydroxynaphthalene

dimethyl sulfate

7-methoxynaphthalen-1-amine

8-amino-2-naphthol

Downstream raw materials:

1-fluoro-7-hydroxynaphthalene

8-fluoro-naphthalene-2-boronic acid

2-<2-<1-(4-fluoro-6-methoxynaphthyl)-1-hydroxyethyl>phenyl>-4,4-dimethyl-2-oxazoline

2-<1-(4-fluoro-6-methoxynaphthyl)ethyl>benzoic acid