シクロペンタノン-2-カルボン酸エチル

Ethyl 2-oxocyclopentanecarboxylate

HCID 69136CAS 611-10-9
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOC(=O)C1CCCC1=O
InChIKey
JHZPNBKZPAWCJD-UHFFFAOYSA-N
分子式
C8H12O3
平均分子量
156.18 g/mol
単同位体質量
156.07864424

概要

structure in first source

名称と識別子

優先名称
Ethyl 2-oxocyclopentanecarboxylate
IUPAC
ethyl 2-oxocyclopentane-1-carboxylate
現地名
シクロペンタノン-2-カルボン酸エチル
英語名
Ethyl 2-oxocyclopentanecarboxylate
分子式
C8H12O3
分子量
156.18

名称と別名

Ethyl 2-oxocyclopentanecarboxylate611-10-9DTXSID80871790RefChem:138631DTXCID20819414210-253-0ethyl 2-oxocyclopentane-1-carboxylate2-CarbethoxycyclopentanoneEthyl cyclopentanone-2-carboxylateMFCD00001412Cyclopentanecarboxylic acid, 2-oxo-, ethyl esterCyclopentanone-2-carboxylic acid ethyl ester
名称をさらに表示
シクロペンタノン-2-カルボン酸エチル2-(エトキシカルボニル)シクロペンタノン2-オキソ-1-シクロペンタンカルボン酸エチル2-オキソシクロペンタンカルボン酸エチル2-オキソシクロペンタン-1-カルボン酸エチル2-エトキシカルボニルシクロペンタノン2-カルボエトキシシクロペンタノン2‐オキソシクロペンタンカルボン酸エチル2-オキソシクロペンタンカルボン酸エチル, 97+%エチル 2-オキソシクロペンタンカルボキシラート1-オキソ-2-シクロペンタンカルボン酸エチル2-OxocyclopentanecarboxylateEhtyl2-oxocycLAKOS AU36-M83opentanecarboxyLEthyl 2-oxocyclopent
Ethyl 2-oxo-1-cyclopentanecarboxylate2-(Ethoxycarbonyl)cyclopentanoneEthyl 2-cyclopentanonecarboxylate.alpha.-(Carboethoxy)cyclopentanone2-Carboethoxycyclopentanone2-Ethoxycarbonylcyclopentanone2-Carbethoxy-1-cyclopentanone2-Oxocyclopentanecarboxylic acid ethyl ester

データベース識別子

CAS
611-10-9
PubChem CID
69136
DTXSID
DTXSID80871790
ChEMBL
CHEMBL3747058
EC Number
210-253-0
Nikkaji
J23.239D

物性

構造計算による物性

XLogP
0.9
極性表面積
43.4 Ų
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
3
重原子数
11

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionClear colorless to light yellow liquid; [Acros Organics MSDS]

物理化学的性質

沸点
102 · 102-104 °C/11 mmHg (lit.)
比重(密度)
1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.452(lit.)
闪点
172 °F · 172 °F
貯蔵温度
Sealed in dry,Room Temperature
外見
液体

化学的性質

化学的特性clear colourless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H227 (25%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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 InformationCyclopentanecarboxylic acid, 2-oxo-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesFlam. Liq. 4 (25%)

安全データ

F
10
wgk
3
hs_code
29183000
risk_code
36/37/38
消防法
危-4-3-III
hazard_code
Xi

化学と産業

応用分野 · 3 件

説明Ethyl 2-oxocyclopentanecarboxylate (EOCPC) is a multifunctional organic reagent that can be used as a pharmaceutical intermediate or raw material for chemical synthesis. EOCPC reacts with kaolinite to prepare intercalation compounds. It also participates in Michael reactions and diazonium transfer reactions for the preparation of other active ingredients.

使用Ethyl 2-oxocyclopentanecarboxylate was used in stereoselective synthesis of (±)-cis,cis-spiro[4.4]nonane-1,6-diol. It was also used in the synthesis of tanikolide.

一般的な説明Phase-transfer benzylation reaction of ethyl 2-oxocyclopentanecarboxylate with benzyl bromide in microreactor has been investigated. Ethyl 2-oxocyclopentanecarboxylate participates in cobalt (II) Schiff′s base complex catalyzed oxidation of primary and secondary alcohols.

上流・下流製品情報

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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