3-(2-Bromoacetyl)pyridine

Base Information

• Chemical Name: 3-(2-Bromoacetyl)pyridine
• CAS No.: 6221-12-1
• Molecular Formula: C7H6 Br N O
• Molecular Weight: 200.035
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00211270
• Nikkaji Number: J281.637G
• ChEMBL ID: CHEMBL396046
• Mol file: 6221-12-1.mol

Synonyms:3-(2-bromoacetyl)pyridine;3-(2-bromoacetyl)pyridine hydrobromide

Chemical Property of 3-(2-Bromoacetyl)pyridine

Chemical Property:

• PSA: 29.96000
• LogP: 1.65920
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.96328
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99%, ^*data from raw suppliers

3-(2-Bromoacetyl)pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)CBr

Technology Process of 3-(2-Bromoacetyl)pyridine

There total 7 articles about 3-(2-Bromoacetyl)pyridine 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%

methyl-3-pyridylketone (350-03-8) → 3-Bromoacetylpyridine (6221-12-1)

Guidance literature:

With hydrogen bromide; bromine; acetic acid; for 24h;

DOI:10.1021/jm500833f

Reference yield: 87.0%

methyl-3-pyridylketone (350-03-8) + diethyl ether (60-29-7,927820-24-4) → 3-Bromoacetylpyridine (6221-12-1)

Guidance literature:

With hydrogen bromide; bromine;

Reference yield:

2-diazo-1-(pyridine-3-yl)ethan-1-one (39972-50-4) → 3-Bromoacetylpyridine (6221-12-1)

Guidance literature:

With diethyl ether; water; hydrogen bromide; benzene;

DOI:10.1021/ja01236a038

upstream raw materials:

methyl-3-pyridylketone

2-diazo-1-(pyridine-3-yl)ethan-1-one

3-oxo-3-pyridin-3-yl-propionic acid ethyl ester

diethyl ether

Downstream raw materials:

2-{2-[3-(3-Piperidin-1-yl-Propoxy)-phenyl]-pyrrolidin-1-yl}-1-pyridin-3-yl-ethanone

2-{2-[3-(3-Morpholin-4-yl-propoxy)-phenyl]-pyrrolidin-1-yl}-1-pyridin-3-yl-ethanone

Ni((C₆H₅)2PCH₂CH₂P(C₆H₅)2)(S₂C₂HC₅H₄N)

N-methyl-4-(4-(4-(pyridin-3-yl)thiazol-2-ylamino)phenoxy)picolinamide

Refernces

• 1、 Burger et al.. "-". . p. 1327. Retrieved 1944.
• 2、 Rani, S. Mahil,Brindha,Reji, T.F. Abbs Fen. "Synthesis, computational studies and antioxidant activity of some 3-(2-alkylamino-4-aminothiazole-5-oyl)pyridines". . p. 605 - 610. Retrieved 2021/09/28.
• 3、 -. "SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS". Page/Page column 61; 62. . Retrieved 2020/12/30.