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ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate structure

CAS No:
1067915-34-7
Formula:
C15H17F2NO3
Chemical Name:
ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
Synonyms:
ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate;Ethyl 1-benzyl-5,5-difluo...;Ethyl 1-benzyl-5,5-difluoro-4-oxo-piperidin-3-carboxylate;5,5-Difluoro-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester

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ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate Basic Attributes

Molecular Weight：

297.2971864

Exact Mass：

297.11800

DSSTox ID：

DTXSID70678331

HScode：

2933399090

Characteristics

PSA：

46.6

XLogP3：

2.4

Density：

1.25±0.1 g/cm3(Predicted)

Boiling Point：

365.6±42.0 °C(Predicted)

ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate Use and Manufacturing

To a solution of diisopropylamine (2.08 mL, 14.9 mmol) in THF (150 mL) under nitrogen and at-78°C, was added BuLi (1.6 M in hexane, 8.52 mL, 13.64 mmol), followed 45 min later by compound W (2.13 g, 6.2 mmol) in THF (50 mL). The cooling bath was removed and the reaction mixture warmed up slowly overnight. Sat. aq. NH4CI (200 mL) was added and the layers were separated. The aqueous phase was extracted with EtOAc (3x150 mL). The combined organic layers were washed with brine and dried over Na2S04. Purification of the residue by FC (EtOAc/heptane 1: 9) gave the title compound (1.5 g, 81 percent). LC-MS: Rut-1. 04 min, ES+ = 298.22.

Computed Properties

Molecular Weight:297.30
XLogP3:2.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:297.11764973
Monoisotopic Mass:297.11764973
Topological Polar Surface Area:46.6
Heavy Atom Count:21
Complexity:394
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

CAS No.: 1067915-34-7

Content: 99.00%

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Guide of ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

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