Ethyl 2-oxocyclopentanecarboxylate

HCID 69136CAS 611-10-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C1CCCC1=O
InChIKey
JHZPNBKZPAWCJD-UHFFFAOYSA-N
분자식
C8H12O3
평균 분자량
156.18 g/mol
단동위원소 질량
156.07864424

개요

structure in first source

이름 및 식별자

우선 이름
Ethyl 2-oxocyclopentanecarboxylate
IUPAC
ethyl 2-oxocyclopentane-1-carboxylate
영어명
Ethyl 2-oxocyclopentanecarboxylate
분자식
C8H12O3
분자량
156.18

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.9
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
11

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점
102 · 102-104 °C/11 mmHg (lit.)
밀도
1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.452(lit.)
인화점
172 °F · 172 °F
저장 조건
Sealed in dry,Room Temperature
물리적 상태
액체

화학적 성질

clear colourless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

안전 데이터

wgk
3
HS 번호
29183000
risk_code
36/37/38
hazard_code
Xi
safety_code
23-24/25-36/37-26
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 3건

개요Ethyl 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.

용도Ethyl 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.

일반 설명Phase-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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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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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