3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

Base Information

• Chemical Name: 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
• CAS No.: 64319-85-3
• Molecular Formula: C9H9BrN2
• Molecular Weight: 225.088
• DSSTox Substance ID: DTXSID40450121
• Nikkaji Number: J812.583J
• Wikidata: Q63409028
• Mol file: 64319-85-3.mol

Synonyms:3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;64319-85-3;3-bromo-5-(4,5-dihydro-3H-pyrrol-2-yl)-pyridine;SCHEMBL7698599;DTXSID40450121;AKOS016845390;3-(1-Pyrroline-2-yl)-5-bromopyridine;A834714;J-511956;3-bromanyl-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine;Q63409028

Chemical Property of 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

Chemical Property:

• PSA: 25.25000
• LogP: 1.86260
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.99491
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NC1)C2=CC(=CN=C2)Br

Technology Process of 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridine

There total 5 articles about 3-bromo-5-(3,4-dihydro-2H-pyrrol-5-yl)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: 72.0%

1-ethenyl-2-pyrrolidinone (88-12-0) + ethyl 5-bromo-3-pyridinecarboxylate (20986-40-7) → 3-bromo-5-(4,5-dihydro-3H-pyrrol-2-yl)-pyridine (64319-85-3)

Guidance literature:

1-ethenyl-2-pyrrolidinone; ethyl 5-bromo-3-pyridinecarboxylate; With sodium hydride; In tetrahydrofuran; for 1h; Heating;

With hydrogenchloride; Further stages.; Heating;

DOI:10.1021/jo001442w

Reference yield: 71.0%

3-(5-Bromo-pyridine-3-carbonyl)-1-vinyl-pyrrolidin-2-one (201292-62-8) → 3-bromo-5-(4,5-dihydro-3H-pyrrol-2-yl)-pyridine (64319-85-3)

Guidance literature:

With hydrogenchloride; pyrographite; 1) 25 --> 98 deg C, 2 h; 2) 98 deg C, 2 h;

DOI:10.1021/jo971572d

Reference yield:

5-bromo-3-pyridinecarboxylic acid (20826-04-4) → 3-bromo-5-(4,5-dihydro-3H-pyrrol-2-yl)-pyridine (64319-85-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 94 percent / aq. H₂SO₄ / 18 h / Heating

2.1: sodium hydride / tetrahydrofuran / 1 h / Heating

2.2: 72 percent / aq. HCl / Heating

With sulfuric acid; sodium hydride; In tetrahydrofuran;

DOI:10.1021/jo001442w

upstream raw materials:

1-ethenyl-2-pyrrolidinone

ethyl 5-bromo-3-pyridinecarboxylate

3-(5-Bromo-pyridine-3-carbonyl)-1-vinyl-pyrrolidin-2-one

5-bromo-3-pyridinecarboxylic acid

Downstream raw materials:

5-Bromo-3-(2-pyrrolidinyl)pyridine

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