1-(2-Methylpyridin-3-yl)ethanone

Base Information

• Chemical Name: 1-(2-Methylpyridin-3-yl)ethanone
• CAS No.: 1721-12-6
• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.166
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00449091
• Nikkaji Number: J1.359.684K
• Wikidata: Q72435430
• Mol file: 1721-12-6.mol

Synonyms:1-(2-methylpyridin-3-yl)ethanone;1721-12-6;3-ACETYL-2-METHYLPYRIDINE;1-(2-METHYLPYRIDIN-3-YL)ETHAN-1-ONE;ETHANONE, 1-(2-METHYL-3-PYRIDINYL)-;2-methyl-3-acetylpyridine;MFCD00128179;1-(2-methyl-pyridin-3-yl)-ethanone;1-(2-methyl-3-pyridyl)ethanone;acetylpicoline;SCHEMBL70978;1-(2-methylpyrid-3-yl)ethanone;DTXSID00449091;NNBYTRDSKTZTGA-UHFFFAOYSA-N;1-(2-methyl-3-pyridinyl)ethanone;1-(2-methylpyridine-3-yl)ethanone;AMY13947;BAA72112;AKOS006272153;AB03570;DS-16386;SY108212;A3790;CS-0149209;FT-0742634;C73307;EN300-225529;W-206020

Chemical Property of 1-(2-Methylpyridin-3-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.082mmHg at 25°C
• Melting Point: 30-31 °C
• Refractive Index: 1.513
• Boiling Point: 226.386 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 96.008 °C
• PSA: 29.96000
• Density: 1.036 g/cm³
• LogP: 1.59260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Methylpyridin-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=N1)C(=O)C

Technology Process of 1-(2-Methylpyridin-3-yl)ethanone

There total 13 articles about 1-(2-Methylpyridin-3-yl)ethanone 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: 89.0%

propan-1-ol-3-amine (156-87-6) + acetylacetone (123-54-6,81235-32-7) → 1-(2-methylpyridin-3-yl)ethanone (1721-12-6)

Guidance literature:

With Keggin-type heteropolyacid; at 20 ℃; for 6h; Neat (no solvent);

DOI:10.1080/00397910903161793

Reference yield: 56.0%

C8H11NO (1314994-51-8) → 1-(2-methylpyridin-3-yl)ethanone (1721-12-6)

Guidance literature:

In nitrobenzene; at 190 ℃; for 4h; Green chemistry;

DOI:10.1055/s-0039-1691575

Reference yield: 52.0%

acrolein (107-02-8,25068-14-8) + acetylacetone (123-54-6,81235-32-7) → 1-(2-methylpyridin-3-yl)ethanone (1721-12-6)

Guidance literature:

With ammonium acetate; In toluene; for 24h; regioselective reaction; Molecular sieve; Reflux;

DOI:10.1039/b805680c

upstream raw materials:

1,3,3-triethoxypropene

4-amino-3-penten-2-one

2-methyl-nicotinonitrile

methyl magnesium iodide

Downstream raw materials:

2-methyl-3-ethyl-pyridine

3-Acetyl-2-methyl-1-(2-oxo-2-phenyl-ethyl)-pyridinium; bromide

(2-methylpyridin-3-yl)acetonitrile

2-(2-methylpyridin-3-yl)ethanol