1-(Bromomethyl)-4-fluoronaphthalene

Base Information

• Chemical Name: 1-(Bromomethyl)-4-fluoronaphthalene
• CAS No.: 6905-05-1
• Molecular Formula: C11H8BrF
• Molecular Weight: 239.08400
• DSSTox Substance ID: DTXSID40508838
• Wikidata: Q82366024
• Mol file: 6905-05-1.mol

Synonyms:1-(BROMOMETHYL)-4-FLUORONAPHTHALENE;6905-05-1;1-(bromomethyl)-4-fluoro-1-naphthalene;Naphthalene, 1-(bromomethyl)-4-fluoro-;SCHEMBL3594153;DTXSID40508838;AMY21555;FD6068;MFCD12025245;AKOS013454366;AS-49282;EN300-3073189;F1911-3813

Chemical Property of 1-(Bromomethyl)-4-fluoronaphthalene

Chemical Property:

• PSA: 0.00000
• LogP: 3.87380
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 237.97934
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

1-(Bromomethyl)-4-fluoronaphthalene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2F)CBr

Technology Process of 1-(Bromomethyl)-4-fluoronaphthalene

There total 4 articles about 1-(Bromomethyl)-4-fluoronaphthalene 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: 100.0%

(4-fluoronaphthalen-1-yl)methanol (79996-88-6) → 1-(bromomethyl)-4-fluoronaphthalene (6905-05-1)

Guidance literature:

With pyridine; phosphorus tribromide; In benzene; at 55 ℃; for 6h;

Reference yield:

1-Fluoronaphthalene (321-38-0) → 1-(bromomethyl)-4-fluoronaphthalene (6905-05-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 100 percent / AlCl₃ / CH₂Cl₂ / 1.) 0 deg C; 2.) ambient temp. 4 h; 3.) reflux, 2.5 h

2: 60 percent / NaOCl / H₂O / 4.5 h / Heating

3: 55.5 percent / LiAlH₄ / diethyl ether / 1.) reflux, 3 h; 2.) room temperature, 14 h

4: 100 percent / PBr₃, pyridine / benzene / 6 h / 55 °C

With pyridine; sodium hypochlorite; lithium aluminium tetrahydride; aluminium trichloride; phosphorus tribromide; In diethyl ether; dichloromethane; water; benzene;

Reference yield:

4-fluoro-1-naphthoic acid (573-03-5) → 1-(bromomethyl)-4-fluoronaphthalene (6905-05-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 55.5 percent / LiAlH₄ / diethyl ether / 1.) reflux, 3 h; 2.) room temperature, 14 h

2: 100 percent / PBr₃, pyridine / benzene / 6 h / 55 °C

With pyridine; lithium aluminium tetrahydride; phosphorus tribromide; In diethyl ether; benzene;

upstream raw materials:

(4-fluoronaphthalen-1-yl)methanol

1-Fluoronaphthalene

4-fluoro-1-naphthoic acid

4-fluoro-1-acetonaphthone

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