3-Bromo-5-fluoroisonicotinaldehyde

Base Information

• Chemical Name: 3-Bromo-5-fluoroisonicotinaldehyde
• CAS No.: 1227573-02-5
• Molecular Formula: C6H3BrFNO
• Molecular Weight: 203.998
• European Community (EC) Number: 849-553-7
• DSSTox Substance ID: DTXSID50700088
• Wikidata: Q82631271
• Mol file: 1227573-02-5.mol

Synonyms:1227573-02-5;3-BROMO-5-FLUOROISONICOTINALDEHYDE;3-bromo-5-fluoropyridine-4-carbaldehyde;3-Bromo-5-fluoropyridine-4-carboxaldehyde;3-Bromo-5-fluoro-pyridine-4-carbaldehyde;MFCD16606512;3-Bromo-5-fluoro-pyridine-4-carboxaldehyde;SCHEMBL782488;AMY8016;DTXSID50700088;ZGYWTNJGTMRSDK-UHFFFAOYSA-N;AKOS016000809;DS-5915;SB32027;3-Brom-5-fluoro-pyridine-4-carbaldehyde;AC-33422;SY068929;CS-0042830;EN300-262577;Z1269185425

Chemical Property of 3-Bromo-5-fluoroisonicotinaldehyde

Chemical Property:

• Boiling Point: 227.5±35.0 °C(Predicted)
• PKA: -1.54±0.28(Predicted)
• PSA: 29.96000
• Density: 1.778±0.06 g/cm3(Predicted)
• LogP: 1.79570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 202.93820
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

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

3-Bromo-5-fluoroisonicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C=N1)Br)C=O)F

Technology Process of 3-Bromo-5-fluoroisonicotinaldehyde

There total 2 articles about 3-Bromo-5-fluoroisonicotinaldehyde 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: 60.3%

3-bromo-5-fluoropyridine (407-20-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-bromo-5-fluoro-pyridine-4-carbaldehyde (1227573-02-5)

Guidance literature:

3-bromo-5-fluoropyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -65 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; for 0.5h;

Reference yield: 60.0%

3-bromo-5-fluoropyridine (407-20-5) + formic acid ethyl ester (109-94-4) → 3-bromo-5-fluoro-pyridine-4-carbaldehyde (1227573-02-5)

Guidance literature:

3-bromo-5-fluoropyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 1.5h;

formic acid ethyl ester; In tetrahydrofuran; at -78 ℃; for 1.45h;

Reference yield: 31.3%

3-bromo-5-fluoro-pyridine-4-carbaldehyde (1227573-02-5) → 4-bromo-1H-pyrazolo[3,4-c]pyridine (1032943-43-3)

Guidance literature:

With hydrazine hydrate; In 1,2-dimethoxyethane; at 110 ℃;

upstream raw materials:

3-bromo-5-fluoropyridine

N,N-dimethyl-formamide

formic acid ethyl ester

Downstream raw materials:

2-chloro-4-(5-fluoro-4-formyl-pyridin-3-yl)-benzonitrile

2-chloro-4-(5-fluoro-4-hydroxymethyl-pyridin-3-yl)-benzonitrile

4-bromo-1H-pyrazolo[3,4-c]pyridine

Refernces

• 1、 -. "NOVEL NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIA". Paragraph 0406; 0407. . Retrieved 2018/05/03.
• 2、 -. "ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS". Page/Page column 61. . Retrieved 2011/06/19.