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1-Acetyl-4-piperidone

1-Acetyl-4-piperidone structure

CAS No:
32161-06-1
Formula:
C7H11NO2
Chemical Name:
1-Acetyl-4-piperidone
Synonyms:
4-Piperidinone,1-acetyl-;4-Piperidone,1-acetyl-;1-Acetyl-4-piperidinone;1-Acetyl-4-piperidone;1-Acetyl-4-oxopiperidine;N-Acetyl-4-piperidinone;N-Acetyl-4-piperidone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear orange oily liquid

1-Acetyl-4-piperidone Basic Attributes

Molecular Weight：

141.17

Exact Mass：

141.17

BRN：

116031

EC Number：

250-937-6

HScode：

2933399090

Characteristics

PSA：

37.4

XLogP3：

-0.8

Appearance：

Clear orange Oily Liquid

Density：

1.144 g/cm³

Boiling Point：

218 °C

Flash Point：

>230 °F

Refractive Index：

1.486

Water Solubility：

soluble in water. Insoluble in acetic acid.

Storage Conditions：

Store below +30°C.

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25-36-26

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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-Acetyl-4-piperidone Use and Manufacturing

To piperidin-4-one hydrochloride 8 (15 g, 0.11 mol) in DCM (150 mL) and added 25 mL of dry TEA (25 mL, 0.22 mol) at 0° C. and the resulting mixture was stirred for 15 minutes at room temperature. Acetyl chloride (10 g, 0.14 mol) was added dropwise and the mixture allowed to stir for one hour at room temperature. After completion of reaction, the reaction mixture was poured into water (200 mL) and neutralized with 5percent sodium carbonate solution. The product was extracted with DCM, dried over sodium sulfate and the solvent evaporated to afford a residue that was purified by column chromatography on silica gel to afford pure 9 (13.3 g, 77percent).

Computed Properties

Molecular Weight:141.17
XLogP3:-0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:37.4
Heavy Atom Count:10
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes