2-Methyl-1,2-di-4-pyridinyl-1-propanone

Base Information

• Chemical Name: 2-Methyl-1,2-di-4-pyridinyl-1-propanone
• CAS No.: 17286-92-9
• Molecular Formula: C₁₄H₁₄N₂O
• Molecular Weight: 226.278
• DSSTox Substance ID: DTXSID10938224
• Nikkaji Number: J395.254A
• Wikidata: Q82914494
• Mol file: 17286-92-9.mol

Synonyms:2-methyl-1,2(bispyridyl)-1-propanone;metapyrone

Chemical Property of 2-Methyl-1,2-di-4-pyridinyl-1-propanone

Chemical Property:

• Vapor Pressure: 2.79E-06mmHg at 25°C
• Boiling Point: 389.7°Cat760mmHg
• Flash Point: 192.4°C
• PSA: 42.85000
• Density: 1.12g/cm³
• LogP: 2.63710
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-1,2-di-4-pyridinyl-1-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=NC=C1)C(=O)C2=CC=NC=C2
• Uses: 2-Methyl-1,2-di-4-pyridinyl-1-propanone is an analog of Metyrapone (M338990). Studies show that 2-Methyl-1,2-di-4-pyridinyl-1-propanone induced blockage of 18-hydroxylation in the adrenal cortex of rats which increased the activity in the zona glomerulosa and of the mineralocorticoids.

Technology Process of 2-Methyl-1,2-di-4-pyridinyl-1-propanone

There total 3 articles about 2-Methyl-1,2-di-4-pyridinyl-1-propanone 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:

<2,3-bis(4-pyridyl)-2,3-butanediol> (69267-29-4) → 1,2-Di-4-pyridyl-2-methyl-1-propanon (17286-92-9)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01524a050

Reference yield:

methyl (4-pyridyl) ketone (1122-54-9) → 1,2-Di-4-pyridyl-2-methyl-1-propanon (17286-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: isopropyl alcohol; acetic acid / Einwirkung von UV-Licht

2: concentrated H₂SO₄

With sulfuric acid; acetic acid; isopropyl alcohol;

DOI:10.1021/ja01524a050

Reference yield:

→ 1,2-Di-4-pyridyl-2-methyl-1-propanon (17286-92-9)

Guidance literature:

2,3-Di-4-pyridylbutan-2,3-diol, conz. H2SO4; in Analogie zu einer aehnl. Verb.;

upstream raw materials:

<2,3-bis(4-pyridyl)-2,3-butanediol>

methyl (4-pyridyl) ketone