1-(5-Pyrimidinyl)ethanone
- Product Name
- 1-(5-Pyrimidinyl)ethanone
- CAS No.
- 10325-70-9
- Chemical Name
- 1-(5-Pyrimidinyl)ethanone
- Synonyms
- 5-Acetylpyrimidine;1-(Pyrimidin-5-yl)ethan-1-one;1-(pyrimidin-5-yl)ethanone;1-(Pyrimidin-5-yl);5-EthanoylpyriMidine;5-Acetylpyrimidine 98%;1-(5-Pyrimidinyl)ethanone;Ethanone,1-(5-pyrimidinyl)-;1-(pyrimidine-5-yl)ethane-1-one;Ethanone, 1-(5-pyrimidinyl)- (9CI)
- CBNumber
- CB81012442
- Molecular Formula
- C6H6N2O
- Formula Weight
- 122.12
- MOL File
- 10325-70-9.mol
1-(5-Pyrimidinyl)ethanone Property
- Melting point:
- 87-88 °C
- Boiling point:
- 70 °C(Press: 2 Torr)
- Density
- 1.136
- Flash point:
- 92.1℃
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 1.03±0.10(Predicted)
- color
- Pale yellow
- InChI
- InChI=1S/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3
- InChIKey
- COTYNDRSENVEFI-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CN=CN=C1)C
- NIST Chemistry Reference
- 5-Acetylpyrimidine(10325-70-9)
Safety
- Safety Statements
- 24/25
- HS Code
- 29335990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- A164270
- Product name
- 5-Acetylpyrimidine
- Packaging
- 1g
- Price
- $315
- Updated
- 2021/12/16
- Product number
- 073927
- Product name
- 1-(5-Pyrimidinyl)ethanone
- Purity
- 95+%
- Packaging
- 5g
- Price
- $525
- Updated
- 2021/12/16
- Product number
- FA153028
- Product name
- 5-Acetylpyrimidine
- Packaging
- 10g
- Price
- $550
- Updated
- 2021/12/16
- Product number
- CHM0967041
- Product name
- 5-ACETYLPYRIMIDINE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $983.52
- Updated
- 2021/12/16
- Product number
- 073927
- Product name
- 1-(5-Pyrimidinyl)ethanone
- Purity
- 95+%
- Packaging
- 25g
- Price
- $1060
- Updated
- 2021/12/16
1-(5-Pyrimidinyl)ethanone Chemical Properties,Usage,Production
Uses
5-Acetylpyrimidine is a substituted pyrimidine used in the study for prediction of relative potency of ketone protease inhibitors using molecular orbital theory.
Synthesis
4595-59-9
78191-00-1
10325-70-9
Step A: 5-Bromopyrimidine (3.18 g, 20 mmol) was dissolved in 50 mL of anhydrous tetrahydrofuran and cooled to -78 °C. 15mL of 1.6M n-butyllithium hexane solution was added slowly and dropwise with stirring. After maintaining the reaction at -78 °C for 30 min, anhydrous tetrahydrofuran solution (10 mL) of N-methoxy-N-methylacetamide (2.58 g, 25 mmol) was slowly added. The reaction was continued with stirring at -78 °C for 1 hour. Subsequently, the reaction mixture was slowly warmed to 0 °C and the reaction was quenched by the addition of saturated aqueous ammonium chloride solution. The reaction mixture was extracted with ethyl acetate (3 x 50 mL) and the organic phases were combined, washed with saturated brine and dried over anhydrous magnesium sulfate. After concentration under reduced pressure, the crude product was purified by silica gel column chromatography with 5% methanol/dichloromethane as eluent to give 1 g of 5-acetylpyrimidine (45% yield). Mass spectrometry (MS) showed a molecular ion peak (M+1) of 123.05.
References
[1] Patent: EP2385035, 2011, A1. Location in patent: Page/Page column 18-19
[2] Patent: CN103130792, 2016, B. Location in patent: Paragraph 0178-0180
1-(5-Pyrimidinyl)ethanone Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-(5-Pyrimidinyl)ethanone manufacturers
- Product
- 5-Acetylpyrimidine 10325-70-9
- Price
- US $1800.00/g
- Min. Order
- 1g
- Purity
- 99 %
- Supply Ability
- 5000 Kg
- Release date
- 2025-04-07
- Product
- 1-(5-Pyrimidinyl)ethanone 10325-70-9
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-11
- Product
- 1-(5-Pyrimidinyl)ethanone 10325-70-9
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09