3,5-difluoropyridine-2-carboxylic Acid

Base Information

• Chemical Name: 3,5-difluoropyridine-2-carboxylic Acid
• CAS No.: 745784-04-7
• Molecular Formula: C6H3F2NO2
• Molecular Weight: 159.092
• Hs Code.: 2933399090
• European Community (EC) Number: 676-912-3
• DSSTox Substance ID: DTXSID90382544
• Nikkaji Number: J3.355.918F
• Wikidata: Q72464219
• Mol file: 745784-04-7.mol

Synonyms:3,5-difluoropicolinic acid;745784-04-7;3,5-difluoropyridine-2-carboxylic Acid;3,5-Difluoro-2-pyridinecarboxylic acid;2-Pyridinecarboxylic acid, 3,5-difluoro-;MFCD05664124;3,5-Difluoropicolinicacid;SCHEMBL107357;DTXSID90382544;QKLXAJQKMIWFRC-UHFFFAOYSA-N;BBL100954;STL554748;3,5-Difluoropyridine-2-carboxylicacid;AKOS005256446;AM62409;CS-W007725;PS-6373;SB40501;3,5-difluoro-pyridine-2-carboxylic acid;SY008959;A9547;FT-0649906;EN300-98146;3 pound not5-Difluoropyridine-2-carboxylicacid;3,5-Difluoropyridine-2-carboxylic acid, 95%;J-511332;Z1201623169

Chemical Property of 3,5-difluoropyridine-2-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.0204mmHg at 25°C
• Melting Point: 202-204°C
• Refractive Index: 1.515
• Boiling Point: 240.6 °C at 760 mmHg
• PKA: 2.65±0.10(Predicted)
• Flash Point: 99.3 °C
• PSA: 50.19000
• Density: 1.535 g/cm³
• LogP: 1.05800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 159.01318466
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

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

3,5-Difluoropicolinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1F)C(=O)O)F

Technology Process of 3,5-difluoropyridine-2-carboxylic Acid

There total 1 articles about 3,5-difluoropyridine-2-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:

3,5-difluoropyridine-2-carbonitrile (298709-29-2) → 3,5-difluoropyridine-2-carboxylic acid (745784-04-7)

Guidance literature:

With sulfuric acid; water; at 110 ℃; for 22h;

Reference yield: 87.0%

3,5-difluoropyridine-2-carboxylic acid (745784-04-7) + triphenyltin(IV) hydroxide (76-87-9) → triphenylstannyl 3,5-difluoropicolinate

Guidance literature:

With sulfuric acid; In ethanol; acetone; Reflux;

DOI:10.1016/j.ica.2017.05.036

Reference yield: 86.0%

3,5-difluoropyridine-2-carboxylic acid (745784-04-7) + (RS)-5-(3-amino-phenyl)-5-methyl-morpholin-3-one hydrochloride → (RS)-3,5-difluoro-pyridine-2-carboxylic acid [3-(3-methyl-5-oxo-morpholin-3-yl)-phenyl]-amide (1266786-14-4)

Guidance literature:

With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

upstream raw materials:

3,5-difluoropyridine-2-carbonitrile

Downstream raw materials:

C₂₇H₂₉F₂N₅O₄

4-(2,4-dichlorophenyl)-6-[(3,5-difluoropyridin-2-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine

methyl 3,5-difluoropyridine-2-carboxylate

3,5-Difluoro-pyridine-2-carboxylic acid [3-((RS)-5-amino-3-methyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-phenyl]-amide

Refernces