6-Fluoro-2-naphthoic acid

Base Information

• Chemical Name: 6-Fluoro-2-naphthoic acid
• CAS No.: 5043-01-6
• Molecular Formula: C11H7FO2
• Molecular Weight: 190.174
• Hs Code.: 2916399090
• European Community (EC) Number: 640-247-7
• DSSTox Substance ID: DTXSID80382295
• Nikkaji Number: J3.353.448E
• Wikidata: Q82173615
• Mol file: 5043-01-6.mol

Synonyms:6-Fluoro-2-naphthoic acid;5043-01-6;6-fluoronaphthalene-2-carboxylic Acid;6-fluoranylnaphthalene-2-carboxylic acid;2-Naphthalenecarboxylic acid, 6-fluoro-;6-FLUORO-2-NAPHTHOICACID;F2191-0010;SCHEMBL1285483;DTXSID80382295;CYKDCZRPLWJEKA-UHFFFAOYSA-N;6-Fluoro-2-naphthoic acid, 97%;MFCD06200717;AKOS015963146;6-fluoro-naphthalene-2-carboxylic acid;PS-6775;AC-18958;FT-0647741;EN300-651679;A828123;I7W

Chemical Property of 6-Fluoro-2-naphthoic acid

Chemical Property:

• Vapor Pressure: 4.4E-05mmHg at 25°C
• Melting Point: 242-246 °C(lit.)
• Refractive Index: 1.647
• Boiling Point: 336.4°C at 760 mmHg
• PKA: 4.14±0.30(Predicted)
• Flash Point: 157.3°C
• PSA: 37.30000
• Density: 1.355g/cm³
• LogP: 2.67710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

6-Fluoro-2-naphthoic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)F)C=C1C(=O)O

Technology Process of 6-Fluoro-2-naphthoic acid

There total 9 articles about 6-Fluoro-2-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: 89.0%

→ 6-fluoro-2-naphthoic acid (5043-01-6)

Guidance literature:

Reference yield:

6-fluoro-2-naphthoic acid ethyl ester (702640-90-2) → 6-fluoro-2-naphthoic acid (5043-01-6)

Guidance literature:

With sodium hydroxide; water; In ethanol; at 20 ℃; for 4h;

Reference yield:

6-Bromonaphthalen-2-amine (7499-66-3) → 6-fluoro-2-naphthoic acid (5043-01-6)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) (diazotization), (ii) aq. HPF₆

2: paraffin / 130 - 140 °C

3: Py / dimethylformamide

4: aq. H₂SO₄, AcOH

With pyridine; sulfuric acid; acetic acid; In N,N-dimethyl-formamide; paraffin;

DOI:10.1021/ja00978a038

upstream raw materials:

2-acetyl-6-fluoronaphthalene

methyl 6-fluoro-4-methyl-2-naphthoate

6-fluoro-2-naphthonitrile

6-Bromonaphthalen-2-amine

Downstream raw materials:

(6-fluoronaphthalen-2-yl)methanol

2-bromomethyl-6-fluoronaphthalene

6-Fluoro-naphthalene-2-carboxylic acid [(R)-1-(4-methanesulfonylamino-3-methyl-phenyl)-ethyl]amide

2-bromo-6-fluoronaphthalene

Refernces

• 1、 -. "Inhibitors of factor Xa". . . Retrieved 2008/06/13.
• 2、 Ananthakrishnanadar, P.,Gnanasekaran, C.. "Kinetics of Base-catalysed Iodination of Substituted Acetonaphthones". . p. 646 - 649. Retrieved 2007/10/02.