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1-BOC-2-BENZYL-PIPERIDIN-4-ONE

1-BOC-2-BENZYL-PIPERIDIN-4-ONE structure

CAS No:
193480-28-3
Formula:
C17H23NO3
Chemical Name:
1-BOC-2-BENZYL-PIPERIDIN-4-ONE
Synonyms:
1-BOC-2-BENZYL-PIPERIDIN-4-ONE;1-N-BOC-2-BENZYL-PIPERIDIN-4-ONE;1-Boc-2-Benzyl-4-piperidinone;1-Piperidinecarboxylicacid,4-oxo-2-(phenylMethyl)-,1,1-diMethylethylester;1-Boc-2-Benzyl-4-piperidine
Categories:
Flavors and Fragrances > Synthetic Fragrances

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1-BOC-2-BENZYL-PIPERIDIN-4-ONE Basic Attributes

Molecular Weight：

289.37

Exact Mass：

289.167786

DSSTox ID：

DTXSID70592760

HScode：

2933399090

Characteristics

PSA：

46.6

XLogP3：

2.6

Density：

1.115±0.06 g/cm3(Predicted)

Boiling Point：

409.0±38.0 °C(Predicted)

Flash Point：

201.2±26.8 °C

Refractive Index：

1.535

Vapor Pressure：

6.69E-07mmHg at 25°C

Safety Information

hazard class code：

22-51

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-BOC-2-BENZYL-PIPERIDIN-4-ONE Use and Manufacturing

Di-tert-butyl dicarbonate (21.8 g) was added to a mixture of intermediate 1 (17 g) in CH2Cl2 (500 ml) and the mixture was stirred at RT for 48 hours. The mixture was evaporated, the residue was taken up in water and toluene and the organic layer was separated. The aqueous layer was extracted again with toluene. The combined organic layers were dried, filtered and evaporated, yielding 38 g (100percent) of (+/-)-1, 1-dimethylethyl 4-oxo-2-(phenylmethyl)-1-piperidinecarboxylate (intermediate 6).

Computed Properties

Molecular Weight:289.4
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:289.16779360
Monoisotopic Mass:289.16779360
Topological Polar Surface Area:46.6
Heavy Atom Count:21
Complexity:380
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-BOC-2-BENZYL-PIPERIDIN-4-ONE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1-BOC-2-BENZYL-PIPERIDIN-4-ONE

SDS

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