5-Amino-2-fluoroisonicotinic acid

Base Information

• Chemical Name: 5-Amino-2-fluoroisonicotinic acid
• CAS No.: 171178-43-1
• Molecular Formula: C6H5FN2O2
• Molecular Weight: 156.11
• Hs Code.: 2933399990
• European Community (EC) Number: 695-775-0
• DSSTox Substance ID: DTXSID60376278
• Nikkaji Number: J763.334C
• Wikidata: Q72437217
• Mol file: 171178-43-1.mol

Synonyms:171178-43-1;5-amino-2-fluoroisonicotinic acid;5-amino-2-fluoropyridine-4-carboxylic acid;5-Amino-2-fluoro-isonicotinic acid;4-PYRIDINECARBOXYLIC ACID, 5-AMINO-2-FLUORO-;5-Amino-2-fluoro-4-pyridinecarboxylic acid;MFCD03411724;4-Pyridinecarboxylicacid, 5-amino-2-fluoro-;SCHEMBL4476922;DTXSID60376278;DKYUCRYPZALEMP-UHFFFAOYSA-N;AKOS004916786;AM85424;CS-W006661;PB14345;PS-6707;SY046590;2-Fluoro-5-aminopyridine-4-carboxylic acid;FT-0619979;5-Amino-2-fluoroisonicotinic acid, AldrichCPR;EN300-112145;A811300;5-amino-2-fluoro-pyridine-4-carboxylic acid;5-Amino-2-fluoroisonicotinic Acid

Chemical Property of 5-Amino-2-fluoroisonicotinic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 514.394 °C at 760 mmHg
• PKA: 3.77±0.10(Predicted)
• Flash Point: 264.896 °C
• PSA: 76.21000
• Density: 1.535 g/cm³
• LogP: 1.08230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 156.03350557
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99%, ^*data from raw suppliers

5-Amino-2-fluoroisonicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CN=C1F)N)C(=O)O

Technology Process of 5-Amino-2-fluoroisonicotinic acid

There total 6 articles about 5-Amino-2-fluoroisonicotinic 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: 94.0%

5-[N-(tert-Butoxycarbonyl)-amino]-2-fluoropyridine-4-carboxylic acid (171178-42-0) → 5-Amino-2-fluoropyridine-4-carboxylic acid (171178-43-1)

Guidance literature:

With water; trifluoroacetic acid; In dichloromethane; for 14h; Ambient temperature;

DOI:10.1039/p19960002221

Reference yield:

2-fluoro-5-aminopyridine (1827-27-6) → 5-Amino-2-fluoropyridine-4-carboxylic acid (171178-43-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 91 percent / various solvent(s) / 10 h / 40 - 45 °C

2.1: n-BuLi; TMEDA / hexane; various solvent(s) / 3 h / -15 - -10 °C

2.2: 64 percent / hexane; various solvent(s) / 2 h / -70 °C

3.1: 85 percent / trifluoroacetic acid / CH₂Cl₂ / 3 h / 20 °C

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; trifluoroacetic acid; In hexane; dichloromethane;

DOI:10.1002/jlcr.944

Reference yield:

(6-fluoro-pyridin-3-yl)-carbamic acid, tert-butyl ester (171178-41-9) → 5-Amino-2-fluoropyridine-4-carboxylic acid (171178-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-BuLi; TMEDA / hexane; various solvent(s) / 3 h / -15 - -10 °C

1.2: 64 percent / hexane; various solvent(s) / 2 h / -70 °C

2.1: 85 percent / trifluoroacetic acid / CH₂Cl₂ / 3 h / 20 °C

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; trifluoroacetic acid; In hexane; dichloromethane;

DOI:10.1002/jlcr.944

upstream raw materials:

5-[N-(tert-Butoxycarbonyl)-amino]-2-fluoropyridine-4-carboxylic acid

2-fluoro-5-aminopyridine

(6-fluoro-pyridin-3-yl)-carbamic acid, tert-butyl ester

2-Fluoro-5-nitropyridine

Downstream raw materials:

6-fluoro-4-oxo-3H-pyrido[3,4-d]pyrimidine

(E)-N-(4-((3-bromo-4-chlorophenyl)amino)pyrido[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)but-2-enamide

4-chloro-6-fluoro-pyrido[3,4-d]pyrimidine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 171178-43-1 5-AMINO-2-FLUORO-ISONICOTINIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send