3-Fluoro-1-methylnaphthalene

Base Information

• Chemical Name: 3-Fluoro-1-methylnaphthalene
• CAS No.: 59079-88-8
• Molecular Formula: C11H9F
• Molecular Weight: 160.1875632
• DSSTox Substance ID: DTXSID00576437
• Wikidata: Q82466135
• Mol file: 59079-88-8.mol

Synonyms:59079-88-8;3-Fluoro-1-methylnaphthalene;SCHEMBL5249792;DTXSID00576437

Chemical Property of 3-Fluoro-1-methylnaphthalene

Chemical Property:

• PSA: 0.00000
• LogP: 3.28730
• 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:

97% ^*data from raw suppliers

3-Fluoro-1-methylnaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=CC=CC=C12)F

Technology Process of 3-Fluoro-1-methylnaphthalene

There total 4 articles about 3-Fluoro-1-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:

(E)-2-Fluoro-4-phenyl-pent-2-enal → 3-fluoro-1-methylnaphthalene (59079-88-8)

Guidance literature:

With PPA; at 65 ℃; for 0.333333h; Yield given;

DOI:10.1021/jm00071a011

Reference yield:

(E)-2-fluoro-4-phenyl-2-pentenoic acid methyl ester (101128-09-0) → 3-fluoro-1-methylnaphthalene (59079-88-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / diisobutylaluminium hydride / toluene / 0.75 h / -40 °C

2: MnO₂ / CH₂Cl₂ / 16 h / Ambient temperature

3: PPA / 0.33 h / 65 °C

With manganese(IV) oxide; diisobutylaluminium hydride; In dichloromethane; toluene;

DOI:10.1021/jm00071a011

Reference yield:

(E)-2-fluoro-4-phenyl-2-penten-1-ol (151222-56-9) → 3-fluoro-1-methylnaphthalene (59079-88-8)

Guidance literature:

Multi-step reaction with 2 steps

1: MnO₂ / CH₂Cl₂ / 16 h / Ambient temperature

2: PPA / 0.33 h / 65 °C

With manganese(IV) oxide; In dichloromethane;

DOI:10.1021/jm00071a011

upstream raw materials:

3-fluoronaphthalene-1-carboxylic acid

(E)-2-fluoro-4-phenyl-2-pentenoic acid methyl ester

(E)-2-fluoro-4-phenyl-2-penten-1-ol