4-ヒドロキシ-1-ピペリジンカルボン酸エチル

Ethyl 4-hydroxypiperidine-1-carboxylate

HCID 96394CAS 65214-82-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)N1CCC(O)CC1
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
分子式: C8H15NO3
平均分子量: 173.21 g/mol
単同位体質量: 173.10519334

名称と識別子

優先名称: Ethyl 4-hydroxypiperidine-1-carboxylate
IUPAC: ethyl 4-hydroxypiperidine-1-carboxylate
現地名: 4-ヒドロキシ-1-ピペリジンカルボン酸エチル
英語名: Ethyl 4-hydroxypiperidine-1-carboxylate
分子式: C8H15NO3
分子量: 173.21

名称と別名

Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-6TR6D7H9MYK1-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-, ETHYL ESTEREINECS 265-636-5NSC-71891DTXSID50215521NSC 718914-OXYPIPERIDINE-1-CARBOXYLIC ACID ETHYL ESTERRefChem:138773DTXCID80138012265-636-5

名称をさらに表示

4-ヒドロキシ-1-ピペリジンカルボン酸エチル1-カルボエトキシ-4-ヒドロキシピペリジン4-ヒドロキシピペリジン-1-カルボン酸エチルN-CARBETHOXY-4-PIPERIDINOL1-CARBETHOXY-4-HYDROXYPIPERIDINEN-Carbethoxy-4-piperidino1-CARBETHOXY-4-PIPERIDINOLN-Carboethoxypiperidine-4-OlEthyl 4-Hydroxy-1-piperidineEthyl 4-hydroxypiperidine-1-Ethyl 4-hydroxypiperidine-1-ca1-ETHOXYCARBONYL-4-PIPERIDINOL

Ethyl 4-Hydroxy-1-piperidinecarboxylateMFCD00086880N-Carbethoxy-4-hydroxypiperidine4-Hydroxy-1-piperidinecarboxylic Acid Ethyl EsterNSC718911-(Ethoxycarbonyl)-4-hydroxypiperidineEbastine Impurity 23UNII-TR6D7H9MYK

データベース識別子

CAS: 65214-82-6
PubChem CID: 96394
DTXSID: DTXSID50215521
UNII: TR6D7H9MYK
EC Number: 265-636-5
Nikkaji: J27.984F

物性

構造計算による物性

XLogP: 0.4
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 152

物理化学的性質

沸点: 120 · 120-130 °C(Press: 0.098 Torr)
比重(密度): 1.12 · 1.12
屈折率: 1.4802 · 1.4802
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
酸解離定数(Pka): 14.8 · 14.80±0.20(Predicted)
色: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
SMILES: N1(C(OCC)=O)CCC(O)CC1
CAS データベース: 65214 · 65214-82-6(CAS DataBase Reference)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 09-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32629

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

安全データ

hs_code: 29333990
消防法: 危-4-3-III
safety_code: 24/25

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Ethyl 4-hydroxypethidine-1-carboxylate is mainly used as a pharmaceutical intermediate and a raw material for organic matter. It can be used in the synthesis of antihistamines, antipsychotics, antidepressants, and various pesticides. As an intermediate, the compound can also produce fungicides and insecticides. It can be used as a raw material for synthetic surfactants, flavors, and fragrances.