Methyl 6-fluoropyridine-3-carboxylate

Base Information

• Chemical Name: Methyl 6-fluoropyridine-3-carboxylate
• CAS No.: 1427-06-1
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.129
• Hs Code.: 29333990
• European Community (EC) Number: 634-321-8
• DSSTox Substance ID: DTXSID10548564
• Wikidata: Q72490880
• Mol file: 1427-06-1.mol

Synonyms:1427-06-1;Methyl 6-fluoropyridine-3-carboxylate;Methyl 6-fluoronicotinate;6-Fluoronicotinic acid methyl ester;MFCD03095098;Methyl6-fluoropyridine-3-carboxylate;SCHEMBL1468486;HLYBWNNPVXFCPZ-UHFFFAOYSA-;DTXSID10548564;HLYBWNNPVXFCPZ-UHFFFAOYSA-N;6-Fluoro-nicotinic acid methyl ester;AKOS015891499;CS-W008583;AC-33356;AM808260;AS-14960;SY022281;M2724;Methyl 6-fluoropyridine-3-carboxylate, 97%;EN300-187558;6-Fluoropyridine-3-carboxylic Acid Methyl Ester;J-007683;J-522554;Z1255446614;InChI=1/C7H6FNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3

Chemical Property of Methyl 6-fluoropyridine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.194mmHg at 25°C
• Melting Point: 48-52 °C
• Refractive Index: 1.491
• Boiling Point: 210.311 °C at 760 mmHg
• PKA: -2.47±0.10(Predicted)
• Flash Point: 80.993 °C
• PSA: 39.19000
• Density: 1.243 g/cm³
• LogP: 1.00730
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 155.03825660
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

6-Fluoronicotinicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=C(C=C1)F

Technology Process of Methyl 6-fluoropyridine-3-carboxylate

There total 4 articles about Methyl 6-fluoropyridine-3-carboxylate 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: 84.0%

6-fluoronicotinic acid (403-45-2) + methyl iodide (74-88-4) → methyl 6-fluoropyridine-3-carboxylate (1427-06-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 47.0%

6-fluoronicotinic acid (403-45-2) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 6-fluoropyridine-3-carboxylate (1427-06-1)

Guidance literature:

In methanol; diethyl ether; at 20 ℃; for 0.5h;

Reference yield: 20.0%

methyl 3-pyridinecarboxylate (93-60-7) → methyl 2-fluoro-3-pyridinecarboxylate (446-26-4) + methyl 6-fluoropyridine-3-carboxylate (1427-06-1)

Guidance literature:

With fluorine; In tetrachloromethane; at 0 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)95700-9

upstream raw materials:

methyl 3-pyridinecarboxylate

6-fluoronicotinic acid

methyl iodide

diazomethyl-trimethyl-silane

Downstream raw materials:

methyl 6-hydrazinyl-3-pyridinecarboxylate

(S)-methyl 6-[(3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butyl)amino]nicotinate

(S)-ethyl N-({6-[(3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butyl)amino]pyridin-3-yl}carbonyl)-beta-alaninate

3-[(6-{(S)-3-methyl-1-[2-(4-trifluoromethyl-phenyl)-pyrimidin-5-yl]-butylamino}-pyridine-3-carbonyl)-amino]-propionic acid ethyl ester

Refernces

• 1、 -. "BENZOTRIAZEPINONE DERIVATIVES". Page/Page column 69. . Retrieved 2010/11/29.
• 2、 Puy, Michael Van Der. "DIRECT FLUORINATION OF SUBSTITUTED PYRIDINES". . p. 255 - 258. Retrieved 2007/10/02.