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Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (1:1)

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Name

Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (1:1)

EINECS 233-694-0
CAS No. 10315-03-4 Density N/A
PSA 29.10000 LogP 3.02760
Solubility almost transparency Melting Point 232-234 °C(lit.)
Formula C13H18ClNO Boiling Point 325.2 °C at 760 mmHg
Molecular Weight 239.745 Flash Point 125.7 °C
Transport Information N/A Appearance slightly yellow to beige powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 10315-03-4 (4-ACETYL-4-PHENYLPIPERIDINE HYDROCHLORIDE) Hazard Symbols N/A
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;

 

Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (1:1) Synthetic route

10315-02-3

1-(1-benzyl-4-phenyl-[4]piperidyl)-ethanone; hydrochloride

10315-03-4

4-Acetyl-4-phenylpiperidine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; palladium on activated charcoal Hydration;

1,4-diacetyl 4-phenyl piperidine

10315-03-4

4-Acetyl-4-phenylpiperidine hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

1-(4-acetyl-4-phenylpiperidin-1-yl)-4-phenylbutan-1-one

Conditions
ConditionsYield
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
ConditionsYield
In acetonitrile88%
20029-52-1

4-cyclohexylbenzoic acid

10315-03-4

4-Acetyl-4-phenylpiperidine hydrochloride

1-[1-(4-cyclohexylbenzoyl)-4-phenylpiperidin-4-yl]ethanone

Conditions
ConditionsYield
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
ConditionsYield
With triethylamine In dichloromethane for 2h;85%

C29H25F6N3O5*ClH

10315-03-4

4-Acetyl-4-phenylpiperidine hydrochloride

(3R*,4R*)-1-[(4-acetyl-4-phenylpiperidin-1-yl)carbonyl]-N-[3,5-bis(trifluoromethyl)benzyl]-N-methyl-3-phenylpiperidine-4-carboxamide

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h;78%

Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (1:1) 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 %.

Ethanone,1-(4-phenyl-4-piperidinyl)-,hydrochloride (1:1) can be used to produce 1-(1-{4-[Bis-(4-fluoro-phenyl)-methoxy]-butyl}-4-phenyl-piperidin-4-yl)-ethanone

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

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