5-Fluoronaphthalen-1-ol

Base Information

• Chemical Name: 5-Fluoronaphthalen-1-ol
• CAS No.: 61761-32-8
• Molecular Formula: C10H7FO
• Molecular Weight: 162.16000
• Hs Code.: 2933998090
• European Community (EC) Number: 944-114-7
• DSSTox Substance ID: DTXSID90491403
• Nikkaji Number: J3.347.647G
• Wikidata: Q82335933
• Mol file: 61761-32-8.mol

Synonyms:5-Fluoronaphthalen-1-ol;61761-32-8;5-fluoro-1-hydroxynaphthalene;MFCD12401609;SCHEMBL485322;DTXSID90491403;KMQITEWKYHQQHH-UHFFFAOYSA-N;AKOS006345580;AS-58009;SY045989;CS-0454225;W16628;EN300-1143463

Chemical Property of 5-Fluoronaphthalen-1-ol

Chemical Property:

• PSA: 20.23000
• LogP: 2.68450
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.048093005
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

5-Fluoronaphthalen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=CC=C2F)C(=C1)O
• Uses: 5-Fluoronaphthalen-1-ol is an intermediate in the preparation of duloxetine metabolites. It is also used in studies to evaluate the ability to inhibit radioligand binding to human serotonin, norepinephrine, and dopamine transporters (Erratum)

Technology Process of 5-Fluoronaphthalen-1-ol

There total 9 articles about 5-Fluoronaphthalen-1-ol 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: 56.0%

2-allyl-5-(trifluoromethyl)phenol (41389-17-7) → 5-fluoronaphthalen-1-ol (61761-32-8)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 120 ℃; for 1.5h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201402098

Reference yield:

1,4-epoxy-1,4-dihydro-5-fluoronaphthalene (731799-14-7) → 8-fluoro-1-naphthol (383155-01-9) + 5-fluoronaphthalen-1-ol (61761-32-8)

Guidance literature:

With hydrogenchloride; In ethanol; for 20h; Heating;

DOI:10.1002/ejoc.200500390

Reference yield:

5-amino-1-naphthol (83-55-6) → 5-fluoronaphthalen-1-ol (61761-32-8)

Guidance literature:

5-amino-1-naphthol; With tetrafluoroboric acid; sodium nitrite;

In decalin; at 160 ℃;

DOI:10.1016/j.bmcl.2004.04.066

upstream raw materials:

1-fluoro-5-nitronaphthalene

5-amino-1-naphthol

1,4-epoxy-1,4-dihydro-5-fluoronaphthalene

1,3-Difluorobenzene