4-(1H-pyrazol-3-yl)pyridine

Base Information

• Chemical Name: 4-(1H-pyrazol-3-yl)pyridine
• CAS No.: 17784-60-0
• Molecular Formula: C8H7N3
• Molecular Weight: 145.164
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL116211
• DSSTox Substance ID: DTXSID30585916
• Nikkaji Number: J3.073.623K
• Wikidata: Q72503666
• Mol file: 17784-60-0.mol

Synonyms:4-(1H-pyrazol-3-yl)pyridine

Chemical Property of 4-(1H-pyrazol-3-yl)pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 151-153 °C
• Refractive Index: 1.611
• Boiling Point: 357 °C at 760 mmHg
• PKA: 11.84±0.10(Predicted)
• Flash Point: 176.1 °C
• PSA: 41.57000
• Density: 1.215 g/cm³
• LogP: 1.47170
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.063997236
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99%, ^*data from raw suppliers

4-(1H-Pyrazol-3-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C2=CC=NN2

Technology Process of 4-(1H-pyrazol-3-yl)pyridine

There total 12 articles about 4-(1H-pyrazol-3-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: 96.0%

methyl (4-pyridyl) ketone (1122-54-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(1H-pyrazol-3-yl)pyridine (17784-60-0)

Guidance literature:

methyl (4-pyridyl) ketone; N,N-dimethyl-formamide; In toluene; Heating;

With hydrazine; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2008.07.002

Reference yield: 93.0%

(E)-3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one (123367-27-1) → 4-(1H-pyrazol-3-yl)pyridine (17784-60-0)

Guidance literature:

With hydrazine; In ethanol; for 2.5h;

Reference yield: 83.0%

3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one (123367-27-1,66521-53-7) → 4-(1H-pyrazol-3-yl)pyridine (17784-60-0)

Guidance literature:

With hydrazine hydrate; acetic acid; In ethanol; for 9h; Reflux;

DOI:10.1021/acs.jmedchem.5b00152

upstream raw materials:

3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one

(E)-3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one

methyl (4-pyridyl) ketone

5-methyl-3-(4-pyridyl)-1H-pyrazole

Downstream raw materials:

1-benzyl-4-(1H-pyrazol-3-yl)-1,2,3,6-tetrahydropyridine

2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethanol

[2-bromo-4-(3-pyridin-4-yl-pyrazol-1-yl)-phenyl]-(5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-methanone

N-[3-(1-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-phenyl]-hydroxylamine

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