2-Fluoro-3-hydroxybenzoic acid

Base Information

• Chemical Name: 2-Fluoro-3-hydroxybenzoic acid
• CAS No.: 91658-92-3
• Molecular Formula: C7H5FO3
• Molecular Weight: 156.113
• Hs Code.: 2918290000
• European Community (EC) Number: 630-093-9
• DSSTox Substance ID: DTXSID50343979
• Nikkaji Number: J1.594.333E
• Wikidata: Q82115602
• Mol file: 91658-92-3.mol

Synonyms:2-Fluoro-3-hydroxybenzoic acid;91658-92-3;Benzoic acid, 2-fluoro-3-hydroxy-;2-fluoro-3-hydroxy benzoic acid;2-Fluoro-3-hydroxybenzoicAcid;MFCD01862066;3-Carboxy-2-fluorophenol;SCHEMBL5231025;DTXSID50343979;2-Fluoro-3-hydroxybenzoic acid #;AMY14723;MFCD0182066;TD1358;AKOS005259824;PS-8849;AC-28499;SY005530;CS-0160011;FT-0676928;A20330;EN300-249233;Z1201621446

Chemical Property of 2-Fluoro-3-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 314.1oC at 760 mmHg
• Flash Point: 143.8oC
• PSA: 57.53000
• Density: 1.492g/cm3
• LogP: 1.22950
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.02227218
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Fluoro-3-hydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-3-hydroxybenzoic acid

There total 3 articles about 2-Fluoro-3-hydroxybenzoic 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: 99.0%

2-fluoro-3-methoxybenzoic acid (137654-20-7) → 2-fluoro-3-hydroxybenzoic acid (91658-92-3)

Guidance literature:

With hydrogen bromide; acetic acid; at 110 ℃;

Reference yield:

2-fluorophenol (367-12-4) → 2-fluoro-3-hydroxybenzoic acid (91658-92-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / N-ethyldiisopropylamine / CH₂Cl₂ / 2 h / 25 °C

2: 84 percent / butyllithium; potassium tert-butoxide / hexane; tetrahydrofuran / 2 h / -75 °C

3: 83 percent / boron trifluoride-diethyl ether / methanol / 15 h / 25 °C

With n-butyllithium; boron trifluoride diethyl etherate; potassium tert-butylate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; hexane; dichloromethane;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

Reference yield:

fluoro-1 methoxymethylenoxy-2 benzene (117570-31-7) → 2-fluoro-3-hydroxybenzoic acid (91658-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / butyllithium; potassium tert-butoxide / hexane; tetrahydrofuran / 2 h / -75 °C

2: 83 percent / boron trifluoride-diethyl ether / methanol / 15 h / 25 °C

With n-butyllithium; boron trifluoride diethyl etherate; potassium tert-butylate; In tetrahydrofuran; methanol; hexane;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

upstream raw materials:

2-fluorophenol

fluoro-1 methoxymethylenoxy-2 benzene

2-fluoro-3-methoxybenzoic acid

Downstream raw materials:

C₇H₄ClFO₂

methyl 2-fluoro-3-hydroxybenzoate

Refernces

• 1、 -. "PYRROLOTRIAZINE KINASE INHIBITORS". Page 35. . Retrieved 2010/02/06.