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3-Phenylpiperidine

3-Phenylpiperidine structure

CAS No:
3973-62-4
Formula:
C11H15N
Chemical Name:
3-Phenylpiperidine
Synonyms:
Piperidine,3-phenyl-;3-Phenylpiperidine
Categories:
Specialty Chemicals

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Description

White crystalline powder

3-Phenylpiperidine Basic Attributes

Molecular Weight：

161.248

Exact Mass：

161.24

EC Number：

223-602-7

HScode：

2933399090

Characteristics

PSA：

XLogP3：

Density：

1.0040 g/cm³

Melting Point：

14.5 °C

Boiling Point：

257 °C

Flash Point：

115.5±16.9 °C

Refractive Index：

1.522

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Phenylpiperidine Use and Manufacturing

N-Benzyl-3-phenylpiperidine (3-1, 65 g, 258.96 mmol), Palladium carbon (12g, 18percent), absolute ethanol (300mL), Glacial acetic acid (11 mL) was added to the reaction flask.Pass 1 atm of hydrogen, heat to 60 ° C, and react for 12 h.TLC detected the reaction of the starting material was complete, the reaction was stopped, the palladium on carbon was filtered, and the solvent was evaporated to dryness, then water (250 mL), and ethyl acetate (250 mL × 3), and the organic layer was collected, dried over anhydrous sodium sulfate and filtered. The solvent was spin-dried to obtain 35.2 g of the product 3-phenylpiperidine (1) in a yield of 89.3percent, which was directly used for the next reaction;a mixture of the compound (4) and the compound (5) (64.7 g, 259.8 mmol), Palladium carbon (13g, 20percent), anhydrous methanol (300mL), glacial acetic acid (12mL) was added to the autoclave, and 1atm of hydrogen was introduced, heated to 60 ° C, reaction for 16h, TLC detection of the raw material reaction was complete, stop the reaction , The palladium on carbon was filtered, and the solvent was evaporated to dryness, water (200 mL), and ethyl acetate.The organic layer was collected, dried over anhydrous sodium sulfate, filtered, and then evaporated to the solvent to afford the product 3-phenylpiperidine (1) 35.1 g, yield 88.3percent.

Computed Properties

Molecular Weight:161.24
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:161.120449483
Monoisotopic Mass:161.120449483
Topological Polar Surface Area:12
Heavy Atom Count:12
Complexity:127
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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