1-(5-Methylpyridin-2-yl)propan-2-one

Base Information

• Chemical Name: 1-(5-Methylpyridin-2-yl)propan-2-one
• CAS No.: 73010-36-3
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.192
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40595400
• Wikidata: Q82490404
• Mol file: 73010-36-3.mol

Synonyms:73010-36-3;1-(5-methylpyridin-2-yl)propan-2-one;1-(5-METHYLPYRIDIN-2-YL)ACETONE;1-(5-methyl-2-pyridinyl)acetone;SCHEMBL7229581;DTXSID40595400;IHWRVCONMXLQQT-UHFFFAOYSA-N;YCA01036;MFCD09864215;AKOS012501647;AT40068;SB53988;BS-36224;DB-215673;CS-0205756;1-(5-Methylpyridin-2-yl)acetone, AldrichCPR;EN300-1855264

Chemical Property of 1-(5-Methylpyridin-2-yl)propan-2-one

Chemical Property:

• Vapor Pressure: 0.051mmHg at 25°C
• Boiling Point: 235.1°C at 760 mmHg
• PKA: 4.45±0.22(Predicted)
• Flash Point: 101.7°C
• PSA: 29.96000
• Density: 1.026g/cm³
• LogP: 1.52150
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

98% ^*data from raw suppliers

1-(5-methylpyridin-2-yl)acetone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=C1)CC(=O)C

Technology Process of 1-(5-Methylpyridin-2-yl)propan-2-one

There total 2 articles about 1-(5-Methylpyridin-2-yl)propan-2-one 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:

2,5-dimethylpyridine (589-93-5) → (5-methyl-pyridin-2-yl)-propan-2-one (73010-36-3)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; N,N-dimethyl acetamide;

Reference yield:

→ (5-methyl-pyridin-2-yl)-propan-2-one (73010-36-3)

Guidance literature:

2,5-Lutidin 1. PhLi, CH3CN 2. +;

Reference yield:

6-fluorochromone-3-carboxaldehyde (69155-76-6) + (5-methyl-pyridin-2-yl)-propan-2-one (73010-36-3) → 1-acetyl-3-(5-fluoro-2-hydroxybenzoyl)-7-methylquinolizin-5-ium perchlorate

Guidance literature:

Multi-step reaction with 2 steps

1: water / 3 h / Reflux

2: perchloric acid / water / 0.08 h / 20 °C / pH 1 - 2

With perchloric acid; In water;

DOI:10.1039/d0gc02460k

upstream raw materials:

2,5-dimethylpyridine

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