4-Bromo-2-fluoropyridine

Base Information

• Chemical Name: 4-Bromo-2-fluoropyridine
• CAS No.: 128071-98-7
• Molecular Formula: C5H3BrFN
• Molecular Weight: 175.988
• Hs Code.: 29333990
• European Community (EC) Number: 672-942-6
• DSSTox Substance ID: DTXSID00376510
• Nikkaji Number: J1.748.334J
• Wikidata: Q72456464
• Mol file: 128071-98-7.mol

Synonyms:4-Bromo-2-fluoropyridine;128071-98-7;2-Fluoro-4-bromopyridine;Pyridine, 4-bromo-2-fluoro-;4-bromo-2-fluoro-pyridine;MFCD04112504;4-bromo-2-fluoro pyridine;SCHEMBL255652;4-bromanyl-2-fluoranyl-pyridine;DTXSID00376510;4-Bromo-2-fluoropyridine, 97%;PTPTZLXZHPPVKG-UHFFFAOYSA-N;BCP26033;CS-D0936;AKOS005064011;AB17567;AC-5167;PS-8593;SY005160;AM20050751;B4778;BB 0323385;FT-0600805;(DODECYLBENZYL)TRIMETHYLAMMONIUMCHLORIDE;EN300-87237;A26957;A805782;J-400301

Chemical Property of 4-Bromo-2-fluoropyridine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.576mmHg at 25°C
• Refractive Index: n20/D 1.531
• Boiling Point: 195.9 °C at 760 mmHg
• PKA: 0.81±0.10(Predicted)
• Flash Point: 72.3 °C
• PSA: 12.89000
• Density: 1.707 g/cm³
• LogP: 1.98320
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.94329
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-fluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T,Xn,F
• Hazard Codes: Xi,T,Xn,F
• Statements: 2237/3841-36/37/38-20/21/22-10-41-37/38-22
• Safety Statements: 2639-36-26-16-39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1Br)F
• Uses: 4-Bromo-2-fluoropyridine is used in preparation of isoquinolinone derivatives and pharmaceutical compounds thereof for prevention or treatment of poly(ADP-ribose)polymerase-1 (PARP-1)-associated diseases.

Technology Process of 4-Bromo-2-fluoropyridine

There total 4 articles about 4-Bromo-2-fluoropyridine 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-bromo-2-fluoropyridine (36178-05-9) → 4-bromo-2-fluoropyridine (128071-98-7)

Guidance literature:

3-bromo-2-fluoropyridine; With bromine; lithium diisopropyl amide;

With hydrogenchloride;

Reference yield:

2-fluoropyridine (372-48-5) → 3-bromo-2-fluoropyridine (36178-05-9) + 4-bromo-2-fluoropyridine (128071-98-7) + 3,4-Dibromo-2-fluoropyridine (137718-84-4)

Guidance literature:

With bromine; lithium diisopropyl amide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1) THF, -75 deg C, 4 h, 2) -75 deg C, 0.5 h;

DOI:10.1021/jo00028a032

Reference yield:

2-fluoropyridine (372-48-5) → 3-bromo-2-fluoropyridine (36178-05-9) + 4-bromo-2-fluoropyridine (128071-98-7)

Guidance literature:

With bromine; lithium diisopropyl amide; Multistep reaction. Title compound not separated from byproducts; 1.) THF, -60 deg C, 4 h, 2.) -70 deg C, 1 h;

DOI:10.1016/0022-328X(90)80210-Q

upstream raw materials:

2-fluoropyridine

3-bromo-2-fluoropyridine

Downstream raw materials:

2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine

2-fluoropyridin-4-ylboronic acid

C₉H₁₁BrN₂O₂

C₁₁H₇ClFNS

Refernces

• 1、 Marsais,Pineau,Nivolliers,Mallet,Turck,Godard,Queguiner. "A new convergent route to 1-substituted ellipticines". . p. 565 - 573. Retrieved 2007/10/02.