Diethyl diallylmalonate
기본 정보
- CAS
3195-24-2- 표준 SMILES
C=CCC(CC=C)(C(=O)OCC)C(=O)OCC- InChIKey
LYUUVYQGUMRKOV-UHFFFAOYSA-N- 분자식
- C13H20O4
- 평균 분자량
- 240.29 g/mol
- 단동위원소 질량
- 240.13615912
개요
Diethyl diallylmalonate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Diethyl diallylmalonate
- IUPAC
- diethyl 2,2-bis(prop-2-enyl)propanedioate
- 영어명
- Diethyl diallylmalonate
- 분자식
- C13H20O4
- 분자량
- 240.3
이름 및 동의어
Diethyl diallylmalonate3195-24-2NSC-46842NSC-30683W2RBW7YAY9DTXSID00185785RefChem:587207DTXCID40108276221-696-4Diethyl 2,2-diallylmalonateDiallylmalonic acid diethyl esterdiethyl 2,2-bis(prop-2-enyl)propanedioate
이름 더 보기
diethyldiallylmalonatValproic Acid Impurity 19Diethyl diallylmalonate 98%Diethyl Diallylmalonate >DIETHYL DI-2-PROPENYLMALONATEdienepropyldiacidiethyl esterDiethyl-2-allyl-2-butenylmalonate
DIETHYLDIALLYLMALONATEMFCD00009126Malonic acid, diallyl-, diethyl esterSCHEMBL283884Diethyl 2,2-diallylpropanedioateLYUUVYQGUMRKOV-UHFFFAOYSA-NSC46842Propanedioic acid, di-2-propenyl-, diethyl ester
데이터베이스 식별자
- CAS
3195-24-2- PubChem CID
- 76664
- DTXSID
DTXSID00185785- ChEBI
CHEBI:188661- UNII
- W2RBW7YAY9
- EC Number
- 221-696-4
- Nikkaji
- J151.156D
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 264
물리화학적 성질
- 끓는 점
- 128 · 128-130 °C/12 mmHg (lit.)
- 밀도
- 0.994 g/mL · 0.994 g/mL at 25 °C (lit.)
- 증기압
- 4.266 Pa · 4.266Pa at 25℃
- 굴절률
- 20 · n20/D 1.446(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름, DMSO, 메탄올 에 용해됨
- 물리적 상태
- 기름
- 색상
- 투명 무색
- 수용성
- 물에 거의 녹지 않습니다. (0.72g/L) (25°C)
- BRN
- 1790529 · 1790529
- InChI
- 1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3
- InChIKey
- LYUUVYQGUMRKOV-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(CC=C)(CC=C)C(=O)OCC
- LogP
- 3.46 · 3.46
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
Chemical: Propanedioic acid, di-2-propenyl-, diethyl ester
Status: Cease Manufacture Update: 13-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6504
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2917198090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Diethyl diallylmalonate is the starting material for enantioselective synthesis of carbocyclic nucleoside analogues. It is also used as Low catalyst loading in ring-closing metathesis reaction. Cationic nickel (with monodentate phosphoramidites and Wilkes azaphospholene as ligands) catalyzed cycloisomerisation of diethyl diallylmalonate has been reported.
일반 설명Low catalyst loading in ring-closing metathesis reaction of diethyl diallylmalonate has been reported. Cationic nickel (with monodentate phosphoramidites and Wilke′s azaphospholene as ligands) catalyzed cycloisomerisation of diethyl diallylmalonate has been reported.
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하류 제품
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