ジアリルマロン酸 ジエチル

Diethyl diallylmalonate

HCID 76664CAS 3195-24-2
部分構造検索類似構造を探す

基本情報

標準SMILES
C=CCC(CC=C)(C(=O)OCC)C(=O)OCC
InChIKey
LYUUVYQGUMRKOV-UHFFFAOYSA-N
分子式
C13H20O4
平均分子量
240.29 g/mol
単同位体質量
240.13615912

概要

Diethyl diallylmalonate is a fatty acid ester.

名称と識別子

優先名称
Diethyl diallylmalonate
IUPAC
diethyl 2,2-bis(prop-2-enyl)propanedioate
現地名
ジアリルマロン酸 ジエチル
英語名
Diethyl diallylmalonate
分子式
C13H20O4
分子量
240.3

名称と別名

Diethyl diallylmalonate3195-24-2NSC-46842NSC-30683W2RBW7YAY9DTXSID00185785RefChem:587207DTXCID40108276221-696-4Diethyl 2,2-diallylmalonateDiallylmalonic acid diethyl esterdiethyl 2,2-bis(prop-2-enyl)propanedioate
名称をさらに表示
ジアリルマロン酸 ジエチル2,2-ジアリルマロン酸ジエチルビス(2-プロペニル)プロパン二酸ジエチルジエチル=ジアリルマロナート1,6-ヘプタジエン-4,4-ジカルボン酸ジエチルジアリルマロン酸ジエチル2,2-ビス(2-プロペニル)マロン酸ジエチル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

データベース識別子

CAS
3195-24-2
PubChem CID
76664
DTXSID
DTXSID00185785
ChEBI
CHEBI:188661
UNII
W2RBW7YAY9
EC Number
221-696-4
Nikkaji
J151.156D

物性

構造計算による物性

XLogP
2.9
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
10
重原子数
17

物理化学的性質

沸点
128 · 128-130 °C/12 mmHg (lit.)
比重(密度)
0.994 g/mL · 0.994 g/mL at 25 °C (lit.)
蒸気圧
4.266 Pa · 4.266Pa at 25℃
屈折率
20 · n20/D 1.446(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature

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

Regulatory Information · 2 件

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%)

安全データ

wgk
3
hs_code
2917198090
risk_code
36/37/38
消防法
危-4-3-III
hazard_code
Xi
safety_code
26-37/39

化学と産業

応用分野 · 2 件

使用Diethyl 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.

一般的な説明Low 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.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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