1-benzyl-4-methylpiperidin-3-one
Synthesis- Product Name
- 1-benzyl-4-methylpiperidin-3-one
- CAS No.
- 32018-96-5
- Chemical Name
- 1-benzyl-4-methylpiperidin-3-one
- Synonyms
- Tofacitinib Impurity 192;Moxifloxacin Impurity 158;Tofacitinib Impurity 16 HCl;Tofacitinib Impurity 13 HCl;1-benzyl-4-methylpiperidin-3-on;1-Benzyl-4-methyl-3-piperidinone;Tofacitinib Impurity 192 Monomer;1-benzyl-4-methylpiperidin-3-one;4-Methyl-1-(phenylmethyl)-3-piperidinone;3-Piperidinone, 4-Methyl-1-(phenylMethyl)-
- CBNumber
- CB62485153
- Molecular Formula
- C13H17NO
- Formula Weight
- 203.28
- MOL File
- 32018-96-5.mol
1-benzyl-4-methylpiperidin-3-one Property
- Boiling point:
- 302.9±35.0 °C(Predicted)
- Density
- 1.057
- storage temp.
- Sealed in dry,Store in freezer, under -20°C
- pka
- 6.13±0.40(Predicted)
- Appearance
- Light yellow to yellow Liquid
- InChI
- InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
- InChIKey
- BSBVJNUGGBQEPO-UHFFFAOYSA-N
- SMILES
- N1(CC2=CC=CC=C2)CCC(C)C(=O)C1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B287190
- Product name
- 1-Benzyl-4-methylpiperidin-3-one
- Packaging
- 25g
- Price
- $565
- Updated
- 2021/12/16
- Product number
- 4H56-1-MY
- Product name
- 4-Methyl-1-(phenylmethyl)-3-piperidinone
- Packaging
- 1g
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 4H56-1-MY
- Product name
- 4-Methyl-1-(phenylmethyl)-3-piperidinone
- Packaging
- 5G
- Price
- $90
- Updated
- 2021/12/16
- Product number
- 3525AB
- Product name
- 1-Benzyl-4-methylpiperidin-3-one
- Packaging
- 5g
- Price
- $117
- Updated
- 2021/12/16
- Product number
- 4H56-1-MY
- Product name
- 4-Methyl-1-(phenylmethyl)-3-piperidinone
- Packaging
- 25g
- Price
- $250
- Updated
- 2021/12/16
1-benzyl-4-methylpiperidin-3-one Chemical Properties,Usage,Production
Synthesis
A 640-L vessel was charged with SO3.pyridine (51.47 kg, 323.1 mol). DMSO (169 L) was added and the whole was heated slowly to 33 °C. After a solution was obtained, it was cooled to 25 °C. The TsOH salt of the amine (40.9 kg, 107.7 mol) was added into the vessel and suspended in DMSO (50 L). After the addition of Et3N (62 L, 43.8 mol), the SO3.pyridine solution in DMSO was added to the two-phase mixture in the vessel at such a rate as to keep the internal temperature below 25 °C. After 1 h of stirring at 22 °C, the reaction was 92% complete. The mixture was cooled to 10 °C and quenched with water (182 L) over a period of 40 min at such a rate as to keep the internal temperature below 17 °C; a 25% NH3 solution (16 L) was then added. After phase separation, the aqueous phase was extracted with three portions of toluene (3 × 60 L) while controlling the pH of the aqueous layer to 10 after each extraction. The combined organic phases (approximately 240 L) were extracted with water (61 L), and the bright-orange solution was heated at 40−50 °C jacket temperature over 1 h while blowing a nitrogen stream into the solution via an immersing tube. Then, toluene (170 L) was stripped off at 50 °C to afford the ketone (50.84 kg, 93%) as an orange solution in toluene.
Uses
1-Benzyl-4-methylpiperidin-3-one is an intermediate used to prepare pyrrolo[2,3-d]pyrimidine compds. as inhibitors of protein kinases.
References
[1] Patent: CN105884781, 2016, A. Location in patent: Paragraph 0056; 0057
1-benzyl-4-methylpiperidin-3-one Preparation Products And Raw materials
Raw materials
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View Lastest Price from 1-benzyl-4-methylpiperidin-3-one manufacturers
- Product
- 1-benzyl-4-methylpiperidin-3-one 32018-96-5
- Price
- US $100.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-07-30