1-ピペリジン酢酸エチル

1-Piperidineacetic acid, ethyl ester

HCID 643466

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 23853-10-3
標準SMILES: CCOC(=O)CN1CCCCC1
InChIKey: LXZHLNWWDDNIOJ-UHFFFAOYSA-N
分子式: C9H17NO2
平均分子量: 171.24 g/mol
単同位体質量: 171.12592878

名称と識別子

優先名称: 1-Piperidineacetic acid, ethyl ester
IUPAC: ethyl 2-piperidin-1-ylacetate
現地名: 1-ピペリジン酢酸エチル
英語名: Ethyl 1-piperidineacetate
分子式: C9H17NO2
分子量: 171.24

名称と別名

ethyl piperidin-1-ylacetateethyl 2-(piperidin-1-yl)acetate1-piperidineacetic acid, ethyl esterRefChem:435804607-278-8InChI=1/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1HEthyl 1-piperidineacetate23853-10-3ethyl 2-piperidin-1-ylacetateMFCD00134496ethyl 2-(1-piperidyl)acetateEthyl (piperidin-1-yl)acetate

名称をさらに表示

エチル1-酢酸ピペリジン1-ピペリジン酢酸エチルピペリジン-1-酢酸エチルピペリジン-1-イル酢酸エチルピペリジノ酢酸エチル2-ピペリジノ酢酸エチルエチル 2-(ピペリジン-1-イル)アセタートASISCHEM Z61669ETHYL PIPERDINOACETATEEthyl piperidinoacetateEthyl N-piperidinylacetateEthyl1-piperidineacetate,98%Ethyl 1-piperidineacetate 98%

ethyl 2-piperidylacetateEthyl Piperidine-1-Acetateethyl 1-piperidine acetateEthyl 2-PiperidinylacetateSCHEMBL865518SCHEMBL1377512SCHEMBL3587223Ethyl 1-piperidineacetate, 98%

データベース識別子

CAS: 23853-10-3
PubChem CID: 643466
DTXSID: DTXSID00349188
EC Number: 607-278-8
Nikkaji: J1.553.348J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 141

物理化学的性質

沸点: 109 · 109-111 °C/25 mmHg (lit.)
比重(密度): 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.453(lit.)
闪点: 196 °F · 196 °F
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 7.44 · 7.44±0.10(Predicted)
外見: liquid
比重: 0.984 · 0.984
BRN: 123142 · 123142
CAS データベース: 23853 · 23853-10-3(CAS DataBase Reference)

化学的性質

化学的特性clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Reactant for synthesis of: Nicotinic acid receptor agonists for treatment of dyslipidemia 1-Alkylcyclanols with side chain functions Benzhydrylamides for pharmacochemical studiesReactant for: Elimination reactions Hydrogenation of esters to alcohols

一般的な説明Ethyl 1-piperidineacetate (Piperidin-1-ylacetic acid ethyl ester) is an α-amino acid ethyl ester derivative. Thermal decomposition of ethyl 1-piperidineacetate in gas phase has been studied by ab initio theoretical methods. The kinetics of gas-phase decomposition of ethyl 1-piperidineacetate to the corresponding α-amino acid derivative and ethylene over the temperature range of 360-430°C and pressure range of 26-86Torr has been investigated. Alkylation reaction of ethyl 1-piperidineacetate with ethyl bromoacetate in absolute ethanol has been reported to obey second order kinetics.