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ChemicalBook--->CAS DataBase List--->3973-62-4

3973-62-4

3973-62-4 Structure

3973-62-4 Structure
IdentificationMore
[Name]

3-PHENYLPIPERIDINE
[CAS]

3973-62-4
[Synonyms]

3-PHENYLPIPERIDINE
CHEMBRDG-BB 4003675
TIMTEC-BB SBB010187
3-PHENYLPIPERIDINE >98%
[EINECS(EC#)]

223-602-7
[Molecular Formula]

C11H15N
[MDL Number]

MFCD00804860
[Molecular Weight]

161.24
[MOL File]

3973-62-4.mol
Chemical PropertiesBack Directory
[Melting point ]

142-143℃
[Boiling point ]

121°C/9mm
[density ]

0.967
[refractive index ]

1.5256
[Fp ]

116℃
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

clear liquid
[pka]

10.01±0.10(Predicted)
[color ]

Colorless to Almost colorless
[InChI]

InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2
[InChIKey]

NZYBILDYPCVNMU-UHFFFAOYSA-N
[SMILES]

N1CCCC(C2=CC=CC=C2)C1
[CAS DataBase Reference]

3973-62-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Diethyl ether-->Tetrahydrofuran-->Acetic acid-->PETROLEUM ETHER-->Potassium carbonate-->Palladium-->Magnesium-->Bromobenzene-->3-Pyridyl bromide-->Bis(triphenylphosphine)nickel(II)chloride
[Preparation Products]

(S)-3-phenylpiperidine-->R)-3-PHENYL PIPERIDINE
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Synthesis]

1-benzyl-3-phenylpiperidine

3979-67-7

3-PHENYLPIPERIDINE

3973-62-4

N-benzyl-3-phenylpiperidine (3-1, 65 g, 258.96 mmol) was added palladium carbon (12 g, 18%), anhydrous ethanol (300 mL) and glacial acetic acid (11 mL) in a reaction flask. The reaction was heated to 60 °C for 12 h under 1 atm hydrogen atmosphere. The reaction progress was monitored by TLC and stopped after confirming the complete reaction of the ingredients. The reaction mixture was filtered to remove palladium carbon and the filtrate was concentrated to dryness by rotary evaporation. The residue was dissolved in water (250 mL) and extracted with ethyl acetate (250 mL x 3), the organic layers were combined and dried over anhydrous sodium sulfate. After filtration, the solvent was removed by rotary evaporation to afford 35.2 g of 3-phenylpiperidine (1) in 89.3% yield, and the product was used directly in the subsequent reaction.

[References]

[1] Patent: CN108203404, 2018, A. Location in patent: Paragraph 0223-0226
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYLPIPERIDINE(3973-62-4)1HNMR
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