1-(5-CHLOROPYRIDIN-2-YL)ETHANONE
- Product Name
- 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE
- CAS No.
- 94952-46-2
- Chemical Name
- 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE
- Synonyms
- 1-(5-chloropyridin-2-yl)ethan-1-one;2-Acetyl-5-chloropyridine;Ethanone, 1-(5-chloro-2-pyridinyl)-;KML-81;KML-113;1-(5-chloro-2-pyridinyl)ethanone;1-(5-CHLOROPYRIDIN-2-YL)ETHANONE;1-(5-CHLOROPYRIDIN-2-YL)ETHANONE ISO 9001：2015 REACH
- CBNumber
- CB5812099
- Molecular Formula
- C7H6ClNO
- Formula Weight
- 155.58
- MOL File
- 94952-46-2.mol
1-(5-CHLOROPYRIDIN-2-YL)ETHANONE Property
- Boiling point:
- 236.8±20.0 °C(Predicted)
- Density
- 1.233±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 0.72±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H6ClNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3
- InChIKey
- VVYMEQBXUFPILB-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=NC=C(Cl)C=C1)C
Safety
- HS Code
- 2933399990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- C596250
- Product name
- 1-(5-Chloropyridin-2-yl)ethanone
- Packaging
- 100mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- Y14233
- Product name
- 2-Acetyl-5-chloropyridine
- Purity
- 98%
- Packaging
- 1g
- Price
- $24
- Updated
- 2021/12/16
- Product number
- FC140001
- Product name
- 1-(5-Chloropyridin-2-yl)ethanone
- Packaging
- 500mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- Y14233
- Product name
- 2-Acetyl-5-chloropyridine
- Purity
- 98%
- Packaging
- 5g
- Price
- $90
- Updated
- 2021/12/16
- Product number
- FC140001
- Product name
- 1-(5-Chloropyridin-2-yl)ethanone
- Packaging
- 1g
- Price
- $93
- Updated
- 2021/12/16
1-(5-CHLOROPYRIDIN-2-YL)ETHANONE Chemical Properties,Usage,Production
Uses
1-(5-chloropyridin-2-yl)ethanone is used as an intermediate of Nirogacestat, mainly used in the treatment of fibroma.
Synthesis
89809-64-3
75-16-1
94952-46-2
a) Under nitrogen protection, 5-chloro-2-cyanopyridine (10.7 g, 77 mmol) was dissolved in a solvent mixture of ether (65 mL) and tetrahydrofuran (THF, 35 mL). The reaction mixture was cooled to an internal temperature of -63 °C. Methylmagnesium bromide (3M THF solution, 35 mL, 105 mmol) was added slowly over 30 minutes. After addition, the reaction mixture was continued to be stirred at -60 °C for 45 min, followed by slow warming to room temperature. THF (50 mL) was added to dissolve any precipitate that may have formed and the reaction mixture was stirred for 1 hour. Subsequently, 2M aqueous hydrochloric acid (100 mL) was added and stirring was continued for 4 hours. The pH of the reaction mixture was adjusted with aqueous sodium bicarbonate to 7. The organic and aqueous phases were separated and the product was extracted from the aqueous phase with dichloromethane (DCM). The organic extracts were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by fast column chromatography (eluent: heptane/ethyl acetate gradient) to afford 7.9 g (64% yield) of 1-(5-chloropyridin-2-yl)ethanone.1H NMR (300 MHz, CDCl3) δ ppm: 8.62 (m, 1H), 8.00 (m, 1H), 7.80 (m, 1H), 2.70 (s, 3H).
References
[1] Patent: WO2008/39139, 2008, A1. Location in patent: Page/Page column 26
[2] Patent: WO2008/39138, 2008, A1. Location in patent: Page/Page column 28
1-(5-CHLOROPYRIDIN-2-YL)ETHANONE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE manufacturers
- Product
- 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE 94952-46-2
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons min
- Release date
- 2021-09-06
- Product
- 1-(5-CHLOROPYRIDIN-2-YL)ETHANONE 94952-46-2
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000KGS
- Release date
- 2019-12-25