1-ベンジル-4-ピペリドン

1-Benzyl-4-piperidone

HCID 19220CAS 3612-20-2
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C1CCN(Cc2ccccc2)CC1
InChIKey
SJZKULRDWHPHGG-UHFFFAOYSA-N
分子式
C12H15NO
平均分子量
189.25 g/mol
単同位体質量
189.1153641

概要

structure in first source

名称と識別子

優先名称
1-Benzyl-4-piperidone
IUPAC
1-benzylpiperidin-4-one
現地名
1-ベンジル-4-ピペリドン
英語名
1-Benzyl-4-piperidone
分子式
C12H15NO
分子量
189.25

名称と別名

N-Benzyl-4-piperidone3612-20-21-Benzyl-4-piperidone4-Piperidinone, 1-(phenylmethyl)-NSC-77933399249PH5BDTXSID30189695RefChem:829180DTXCID90112186222-782-41-benzylpiperidin-4-one1-Benzyl-4-oxopiperidine
名称をさらに表示
1-ベンジル-4-ピペリドン1-(フェニルメチル)ピペリジン-4-オン1-ベンジル-4-オキソピペリジン1-ベンジル-4-ピペリジノン1-ベンジルピペリジン-4-オン1-ベンジル-1,2,5,6-テトラヒドロピリジン-4(3H)-オン1ベンジル4ピペリドンN-ベンジル-4-ピペリドンN‐ベンジル‐4‐ピペリドン1-(フェニルメチル)-4-ピペリドン-4-piperidoneBenzyl piperidoneNSC 77933N-BENZYLPIPERIDONEBENZYLPIPERIDONE-4
1-Benzyl-4-piperidinoneN-Benzyl-4-piperidinone1-Benzylpiperidone4-Piperidone, 1-benzyl-MFCD00006192N-Benzylpiperidin-4-one1-benzyl-piperidin-4-oneN-Benzylpiperidinone

データベース識別子

CAS
3612-20-2
PubChem CID
19220
DTXSID
DTXSID30189695
ChEMBL
CHEMBL491630
UNII
399249PH5B
EC Number
222-782-4
Nikkaji
J58.016C

物性

構造計算による物性

XLogP
1.2
極性表面積
20.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
14

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点
134 °C7 · 134 °C7 mm Hg(lit.)
比重(密度)
1.021 g/mL · 1.021 g/mL at 25 °C(lit.)
蒸気圧
0.079 · 0.079-0.15Pa at 20-25℃
屈折率
20 · n20/D 1.541(lit.)
闪点
230 °F · >230 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Clear colorless to straw coloured oily liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.2% (1 of 84) of reports.

Warning

H302 (46.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 4-Piperidinone, 1-(phenylmethyl)-

Status: Active Update: 07-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22538

4-Piperidinone, 1-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Not a skin or eye irritant in rabbits; May cause skin sensitization; Harmful by ingestion; [Alfa Aesar MSDS] Search for (3612-20-2[EC/RN Number]) AND (sensitizer OR sensitization OR dermatitis OR allergic): no results; [PubMed] See 1-Methyl-4-piperidone.

Hazard Classes and CategoriesAcute Tox. 4 (46.4%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

安全データ

wgk
3
hs_code
29333999
risk_code
36/37/38-43-22-20/21/22
化審法
(5)-3734
消防法
危-4-3-III
hazard_code
Xi,Xn

化学と産業

応用分野

用途有機合成原料。

使用A substituted piperidine as pesticide

調製方法 · 1 件

純化方法If the physical properties show contamination, then dissolve it in the minimum volume of H2O, made strongly alkaline with aqueous KOH, extract it with toluene several times, dry the extract with K2CO3, filter, evaporate and distil the residue at high vacuum using a bath temperature of 160-190o, and redistil it. [Brookes & Walker J Chem Soc 3173 1957, Bolyard J Am Chem Soc 52 1030 1930.] The hydrochloride has m 159-161o (from Me2CO/Et2O), and the picrate has m 174-182o (from Me2CO/Et2O). [Grob & Brenneisen Helv Chim Acta 41 1184 1958, Beilstein 21/6 V 424.]

上流・下流製品情報

下流製品

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