5-Fluoro-1-naphthoic acid

Base Information

• Chemical Name: 5-Fluoro-1-naphthoic acid
• CAS No.: 573-04-6
• Molecular Formula: C11H7FO2
• Molecular Weight: 190.174
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00566590
• Nikkaji Number: J1.731.560I
• Wikidata: Q82452267
• Mol file: 573-04-6.mol

Synonyms:5-Fluoro-1-naphthoic acid;573-04-6;5-fluoronaphthalene-1-carboxylic acid;5-Fluoro-1-naphthoicacid;5-fluoronaphthalenecarboxylic acid;SCHEMBL2754168;DTXSID00566590;FFZQPQHYIHFBID-UHFFFAOYSA-N;MFCD09258963;AKOS016008956;5-fluoro-1-naphthalene carboxylic acid;AT31295;PS-6483;CS-0211611;A831382;5-Fluoronaphthalene-1-carboxylic acid, 1-Carboxy-5-fluoronaphthalene

Chemical Property of 5-Fluoro-1-naphthoic acid

Chemical Property:

• Vapor Pressure: 3.58E-06mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 371.4°Cat760mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 178.4°C
• PSA: 37.30000
• Density: 1.355g/cm³
• LogP: 2.67710
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.04300762
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Fluoro-1-naphthoic acid

There total 6 articles about 5-Fluoro-1-naphthoic acid 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%

5-fluoro-1-naphthalenecarboxylic acid 1,1-dimethylethyl ester (405196-38-5) → 5-fluoro-1-naphthalenecarboxylic acid (573-04-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

Reference yield:

ethyl 5-fluoro-1-naphthoate (444913-40-0) → 5-fluoro-1-naphthalenecarboxylic acid (573-04-6)

Guidance literature:

ethyl 5-fluoro-1-naphthoate; With sodium hydroxide; ethanol; water; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In water;

Reference yield:

1-naphthalenecarboxylic acid (86-55-5) → 5-fluoro-1-naphthalenecarboxylic acid (573-04-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 50 percent / Br₂ / acetic acid / 100 °C

2: 49 percent / toluene / 0.5 h / 80 °C

3: 46 percent / n-butyllithium; (PhSO₂)2NF / tetrahydrofuran; hexane / 0.5 h / -78 °C

4: 98 percent / trifluoroacetic acid / CH₂Cl₂ / 20 °C

With n-butyllithium; bromine; N-fluorobis(benzenesulfon)imide; trifluoroacetic acid; In tetrahydrofuran; hexane; dichloromethane; acetic acid; toluene;

DOI:10.1021/jo0160322

upstream raw materials:

5-fluoro-1-naphthalenecarboxylic acid 1,1-dimethylethyl ester

1-naphthalenecarboxylic acid

5-bromo-1-naphthalenecarboxylic acid

5-bromo-1-naphthalenecarboxylic acid 1,1-dimethylethyl ester