1-(Pyridin-3-yl)propan-2-one

Base Information

• Chemical Name: 1-(Pyridin-3-yl)propan-2-one
• CAS No.: 6302-03-0
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• Hs Code.: 2933399090
• NSC Number: 42755
• UNII: T3MG75L21Y
• DSSTox Substance ID: DTXSID50285769
• Wikidata: Q82021263
• Mol file: 6302-03-0.mol

Synonyms:1-(pyridin-3-yl)propan-2-one;6302-03-0;1-pyridin-3-ylpropan-2-one;3-Acetonylpyridine;1-PYRIDIN-3-YL-PROPAN-2-ONE;3-PYRIDINYLACETONE;1-(3-pyridinyl)-2-propanone;2-Propanone, 1-(3-pyridinyl)-;Methyl 3-Pyridylmethyl Ketone;1-(3-Pyridyl)acetone;T3MG75L21Y;NSC-42755;3-(2-OXO-PROPYL)-PYRIDINIUM, CHLORIDE;NSC42755;pyridin-3-ylacetone;NSC 42755;3-PYRIDYLACETONE;UNII-T3MG75L21Y;SCHEMBL48669;1-(3-pyridyl)-2-propanone;DTXSID50285769;WPDJRDYNRNXPBX-UHFFFAOYSA-N;3-(2-oxo-propyl)pyridiniumchloride;MFCD08457626;AKOS011842965;AB45525;PS-20212;BB 0256516;CS-0005378;FT-0661056;A834157;F8886-6819

Chemical Property of 1-(Pyridin-3-yl)propan-2-one

Chemical Property:

• Vapor Pressure: 0.0647mmHg at 25°C
• Melting Point: 110-115 °C
• Refractive Index: 1.509
• Boiling Point: 230.8 °C at 760 mmHg
• PKA: 4.66±0.10(Predicted)
• Flash Point: 98.9 °C
• PSA: 29.96000
• Density: 1.046 g/cm³
• LogP: 2.01510
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%min ^*data from raw suppliers

3-Acetonylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Pyridin-3-yl)propan-2-one

There total 15 articles about 1-(Pyridin-3-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: 94.0%

N-methoxy-N-methyl-2-(pyridin-3-yl)acetamide (217316-41-1) + methylmagnesium bromide (75-16-1) → 1-(pyridin-3-yl)-2-propanone (6302-03-0)

Guidance literature:

In tetrahydrofuran; hexane; at 0 ℃;

DOI:10.1021/jm901457w

Reference yield: 81.0%

3-Chloropyridine (626-60-8) + acetone (67-64-1) → 1-(pyridin-3-yl)-2-propanone (6302-03-0)

Guidance literature:

With potassium phosphate; 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; at 90 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b02344

Reference yield: 42.0%

3-Bromopyridine (626-55-1,163928-56-1) + acetone (67-64-1) → 1-(pyridin-3-yl)-2-propanone (6302-03-0)

Guidance literature:

With potassium phosphate; C₃₇H₅₆ClPPd; at 50 ℃; for 21h; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0040-1707887

upstream raw materials:

3-methallyl-pyridine

pyridyl-3-yl-acetic acid

acetic anhydride

2-[3]pyridyl-acetoacetonitrile

Downstream raw materials:

(+/-)-1-(3-pyridyl)propan-2-amine

[3]pyridyl-acetone oxime

4-(4-chlorophenyl)-3-pyridyl-2-butanone

2-methyl-1-phenyl-1H-pyrrolo[2,3-b]pyridine

Refernces

• 1、 Amgoune, Abderrahmane,Derhamine, Sary Abou,Krachko, Tetiana,Monteiro, Nuno,Pilet, Guillaume,Schranck, Johannes,Tlili, Anis. "Nickel-Catalyzed Mono-Selective α-Arylation of Acetone with Aryl Chlorides and Phenol Derivatives". supporting information. p. 18948 - 18953. Retrieved 2020/09/01.
• 2、 Fu, Wai Chung,So, Chau Ming,Chow, Wing Kin,Yuen, On Ying,Kwong, Fuk Yee. "Design of an Indolylphosphine Ligand for Reductive Elimination-Demanding Monoarylation of Acetone Using Aryl Chlorides". supporting information. p. 4612 - 4615. Retrieved 2015/09/28.