3-Fluoronaphthalene-1-carboxylic acid

Base Information

• Chemical Name: 3-Fluoronaphthalene-1-carboxylic acid
• CAS No.: 575-07-5
• Molecular Formula: C11H7FO2
• Molecular Weight: 190.174
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID701288410
• Mol file: 575-07-5.mol

Synonyms:3-fluoronaphthalene-1-carboxylic acid;575-07-5;3-fluoro-1-naphthoic acid;SCHEMBL5372399;DTXSID701288410;3-fluoronaphthalene-1-carboxylicacid;3-Fluoro-1-naphthalenecarboxylic acid;AKOS022643225;AT27695;CS-0263819;EN300-90211;Z1147473997

Chemical Property of 3-Fluoronaphthalene-1-carboxylic acid

Chemical Property:

• PSA: 37.30000
• 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:

97% ^*data from raw suppliers

3-fluoronaphthalene-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoronaphthalene-1-carboxylic acid

There total 8 articles about 3-Fluoronaphthalene-1-carboxylic 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: 98.0%

3-fluoronaphthalene-1-carboxylic acid methyl ester (846032-79-9) → 3-fluoronaphthalene-1-carboxylic acid (575-07-5)

Guidance literature:

With potassium hydroxide; In methanol; for 2h; Heating;

DOI:10.1016/j.tetlet.2007.05.156

Reference yield:

3-nitro-1-naphthoic acid (4507-84-0) → 3-fluoronaphthalene-1-carboxylic acid (575-07-5)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂SO₄

2: H₂ / Pd-C / ethanol

3: (i) (diazotization), (ii) aq. HPF₆

4: (i) (heating), (ii) KOH, EtOH

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/ja00978a038

Reference yield:

ethyl 3-fluoro-1-naphthoate (444913-44-4) → 3-fluoronaphthalene-1-carboxylic acid (575-07-5)

Guidance literature:

ethyl 3-fluoro-1-naphthoate; With sodium hydroxide; ethanol; water; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In water;

upstream raw materials:

3-fluoronaphthalene-1-carboxylic acid methyl ester

methyl 3-amino-5,6,7,8-tetrahydro-1-naphthoate

3-nitro-1-naphthoic acid

methyl 3-nitro-5,6,7,8-tetrahydro-1-naphthoate

Downstream raw materials:

3'-Fluor-1'-acetonaphthon

3-fluoro-1-methylnaphthalene

1-bromo-3-fluoro-naphthalene