5-Fluoro-1-naphthaldehyde

Base Information

• Chemical Name: 5-Fluoro-1-naphthaldehyde
• CAS No.: 110931-86-7
• Molecular Formula: C11H7 F O
• Molecular Weight: 174.174
• Hs Code.: 2913000090
• European Community (EC) Number: 812-826-6
• DSSTox Substance ID: DTXSID50559497
• Wikidata: Q82442243
• Mol file: 110931-86-7.mol

Synonyms:5-Fluoro-1-naphthaldehyde;110931-86-7;5-fluoronaphthalene-1-carbaldehyde;5-Fluoronaphthalene-1-carboxaldehyde;5-Fluoro-1-naphthaldehyde 98%;SCHEMBL9671258;DTXSID50559497;JJFWJEXWKQDOJL-UHFFFAOYSA-N;5-fluoro-1-naphthalenecarboxaldehyde;5-fluoranylnaphthalene-1-carbaldehyde;MFCD09258965;AKOS025311261;PS-8629;CS-0211418;F81563;A802270;5-Fluoronaphthalene-1-carboxaldehyde, 1-Fluoro-5-formylnaphthalene

Chemical Property of 5-Fluoro-1-naphthaldehyde

Chemical Property:

• Boiling Point: 303.3°Cat760mmHg
• Flash Point: 193.7°C
• PSA: 17.07000
• Density: 1.249g/cm³
• LogP: 2.79140
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.048093005
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-1-naphthaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Fluoro-1-naphthaldehyde

There total 1 articles about 5-Fluoro-1-naphthaldehyde 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: 92.0%

5-fluoro-1-naphthonitrile (59080-27-2) → 5-fluoro-1-naphthoaldehyde (110931-86-7)

Guidance literature:

With diisobutylaluminium hydride; In toluene; for 2h;

DOI:10.1021/jm00071a011

Reference yield: 74.0%

5-fluoro-1-naphthoaldehyde (110931-86-7) + (2S)-N-phenylpyrrolidine-2-carboxamide (25746-83-2,64030-43-9,104261-87-2) → (3R,7aS)-3-(5-fluoronaphthalen-1-yl)-2-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

Guidance literature:

With potassium carbonate; at 80 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2015.05.010

Reference yield:

5-fluoro-1-naphthoaldehyde (110931-86-7) → C23H21FN2O + C23H21FN2O

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / 80 °C / Inert atmosphere

2.1: lithium diisopropyl amide / toluene; tetrahydrofuran; hexane / 1.17 h / -78 - 0 °C / Inert atmosphere

2.2: -78 - 23 °C / Inert atmosphere

With potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; hexane; toluene;

DOI:10.1016/j.tet.2015.05.010

upstream raw materials:

5-fluoro-1-naphthonitrile

Refernces