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| CAS No.: | 10315-03-4 |
|---|---|
| Name: | 4-ACETYL-4-PHENYLPIPERIDINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C13H18ClNO |
| Molecular Weight: | 239.745 |
| Synonyms: | Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (9CI);Ketone, methyl4-phenyl-4-piperidyl,hydrochloride (6CI,7CI,8CI);1-(4-Phenylpiperidin-4-yl)ethan-1-one hydrochloride;4-Acetyl-4-phenylpiperidine hydrochloride; |
| EINECS: | 233-694-0 |
| Melting Point: | 232-234 °C(lit.) |
| Boiling Point: | 325.2 °C at 760 mmHg |
| Flash Point: | 125.7 °C |
| Solubility: | almost transparency |
| Appearance: | slightly yellow to beige powder |
| Safety: | 24/25 |
| PSA: | 29.10000 |
| LogP: | 3.02760 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 10315-02-3
1-(1-benzyl-4-phenyl-[4]piperidyl)-ethanone; hydrochloride
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; palladium on activated charcoal Hydration; |
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 1,4-diacetyl 4-phenyl piperidine With water; sodium hydroxide In methanol at 20℃; for 10h; Stage #2: With hydrogenchloride In methanol; water pH=2; | 800 mg |
- 939-23-1
p-phenylpyridine
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: indium / 7 h / 95 - 100 °C 2.1: palladium 10% on activated carbon; hydrogen / methanol / 10 h / 60 °C / Autoclave 3.1: sodium hydroxide; water / methanol / 10 h / 20 °C 3.2: pH 2 View Scheme |
- 41225-59-6
1,4-diacetyl 4-phenyl 1,4-dihydropyridine
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 10 h / 60 °C / Autoclave 2.1: sodium hydroxide; water / methanol / 10 h / 20 °C 2.2: pH 2 View Scheme |
- 10147-36-1
n-propanesulfonyl chloride
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
- 852029-77-7
4-acetyl-4-phenyl-1-(propylsulfonyl)piperidine
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 2h; | 95% |
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
- 1821-12-1
4-Phenylbutyric acid
| Conditions | Yield |
|---|---|
| Stage #1: 4-Phenylbutyric acid With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In DMF (N,N-dimethyl-formamide) at 20℃; for 0.166667h; Stage #2: 4-Acetyl-4-phenylpiperidine hydrochloride In DMF (N,N-dimethyl-formamide) for 2h; | 93% |
- 22921-76-2
1-(2-bromoethoxy)-4-methoxybenzene
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
- 584-08-7
potassium carbonate
- 193357-72-1
4-acetyl-1-(2-(4-methoxyphenoxy)ethyl)-4-phenylpiperidine
| Conditions | Yield |
|---|---|
| In acetonitrile | 88% |
- 20029-52-1
4-cyclohexylbenzoic acid
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 4-cyclohexylbenzoic acid With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In DMF (N,N-dimethyl-formamide) at 20℃; for 0.166667h; Stage #2: 4-Acetyl-4-phenylpiperidine hydrochloride In DMF (N,N-dimethyl-formamide) for 3h; | 87% |
- 24424-99-5
di-tert-butyl dicarbonate
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
- 160376-88-5
tert-butyl 4-acetyl-4-phenylpiperidine-1-carboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane for 2h; | 85% |
- 10315-03-4
4-Acetyl-4-phenylpiperidine hydrochloride
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h; | 78% |
- Total:29 Page 1 of 1 1
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Specification
The Ethanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride (1:1), with the CAS registry number 10315-03-4, is also known as 4-Acetyl-4-phenylpiperidine hydrochloride. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS registry number is 233-694-0. This chemical's molecular formula is C13H18ClNO and molecular weight is 239.74. What's more, its IUPAC name is 1-(4-Phenylpiperidin-4-yl)ethanone hydrochloride. During using it, you should avoid contacting with skin and eyes.
Physical properties about Ethanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Flash Point: 125.7 °C; (14)Enthalpy of Vaporization: 56.73 kJ/mol; (15)Boiling Point: 325.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000234 mmHg at 25 °C.
Uses of Ethanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride (1:1): it is used to produce other chemicals. For example, it is used to produce 1-(1-{4-[Bis-(4-fluoro-phenyl)-methoxy]-butyl}-4-phenyl-piperidin-4-yl)-ethanone. This reaction needs reagents KI and K2CO3. Meanwhile, it needs solvent Dimethylformamide. The reaction temperature is 60 - 70 °C and the yield is about 73 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C2(c1ccccc1)CCNCC2)C.Cl
(2) InChI: InChI=1/C13H17NO.ClH/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12;/h2-6,14H,7-10H2,1H3;1H
(3) InChIKey: JYDHZOIDIWUHDB-UHFFFAOYAP