2,5-二乙酯基-1,4-环己二酮 | 787-07-5
中文名称:
2,5-二乙酯基-1,4-环己二酮
英文名称:
1,4-diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
CAS No.:
787-07-5
分子式:
C1 2 H1 6 O6
分子量:
256.25184
名称和标识符
MDL
MFCD00001608
InChIKey
KSKWGMNRWCYVAT-UHFFFAOYSA-N
Inchi
1S/C12H16O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-8H,3-6H2,1-2H3
SMILES
CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC
别名信息
- 中文别名 -
2,5-二乙酯基-1,4-环己二酮
丁二酰丁二酸二乙酯
1,4-环己二酮-2,5-二甲酸二乙酯
1,4-环己烷二酮-2,5-二羧酸二乙酯
- 英文别名 -
Diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
Diethyl Succinylo Succinate
ETHYL SUCCINYL SUCCINATE
2,4 cyclohexanedione
2,5-Dicarbethoxy-1,4-cyclohexanedione
2,5-diethylformate 1,4-cyclohexanedione
diethyl 1,4-cyclohexanedione-2,5-dicarboxylate
Diethyl 1,5-dicarboxylate
diethyl 2,5-cyclohexanedione-1,4-dicarboxylate
diethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate
Diethyl succinosuccinate
Diethyl succinylsuccinate
Succinylsuccinic acid ethyl ester
Diethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate
Diethyl 1,4-cyclohexanedione-2,5-dicarboxylate
1,4-diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
1, 2,5-dioxo-, diethyl ester
NSC1140
EN300-136634
Diethyl cyclohexane-1,4-dione-2,5-dicarboxylate
IDI1_011947
2,5-Bis(ethoxycarbonyl)-1,4-cyclohexanedione
Diethyl 2,4-cyclohexanedicarboxylate
NSC-1140
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester
2,4-cyclohexanedione
Oprea1_558252
1,5-dicarboxylic acid, diethyl ester
SCHEMBL3196831
1,4-Cyclohexanedione-2,5-dicarboxylic acid, diethyl ester
Diethyl 1,4-dioxo-2,5-cyclohexanedicarboxylate
BRD-A76671339-001-01-4
EINECS 212-327-8
HMS1432J10
Ethyl succinylsuccinate
SR-01000631020-1
AKOS003619109
Diethyl succinylosuccinate
NSC-130894
AE-842/30158013
787-07-5
NSC 130894
FT-0632955
CCG-40912
AI3-16357
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, diethyl ester
Maybridge3_000560
NS00042232
Diethyl 1,5-cyclohexanedicarboxylate
diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
1,4-Cyclohexanedione-2,5-dicarboxylic acid diethyl ester
NSC 1140
Diethyl succinylo succinate
NSC130894
DTXSID50883582
物化性质
实验特性
LogP
0.27700
PSA
86.74000
折射率
1.48
沸点
375.7°Cat760mmHg
熔点
127-129 °C (lit.)
闪点
166.4°C
颜色与性状
未确定
溶解性
未确定
密度
1.233
计算特性
精确分子量
256.09500
氢键供体数量
0
氢键受体数量
6
可旋转化学键数量
6
同位素质量
256.095
重原子数量
18
复杂度
337
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
2
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
0.3
互变异构体数量
15
表面电荷
0
拓扑分子极性表面积
86.7A^2
海关数据
海关编码
2918300090
海关数据
中国海关编码:
2918300090
概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
相关文献
1.
Bridged ring systems. Part 19. Condensation–cyclisation reaction of acrylaldehyde with diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
Geo. L. Buchanan,William B. Kennedy,Alex. M. Lawson J. Chem. Soc. Perkin Trans. 1 1977 32
2.
Bis-silylated terephthalate as a building block precursor for highly fluorescent organic–inorganic hybrid materials
Daniela Pletsch,Fabiano da Silveira Santos,Fabiano Severo Rodembusch,Valter Stefani,Leandra Franciscato Campo New J. Chem. 2012 36 2506
3.
An efficient five-component synthesis of thioether containing dihydropyrano[2,3-c]pyrazoles: a green domino strategy
Vediyappan Ramesh,Sivakumar Shanmugam,Natarajan Savitha Devi New J. Chem. 2016 40 9993
4.
Novel molecules for the design of organic conductors. Synthesis of 7,7,8,8-tetracyano-2,5-bis(3-phenylpropyl)-p-quinodimethane and N,N′-dicyano-2,5-bis(3-phenylpropyl)-p-quinodiimine and X-ray structure of the TCNQ derivative
Nazario Martin,José Luis Segura,Carlos Seoane,Armando Albert,Félix H. Cano J. Chem. Soc. Perkin Trans. 1 1993 2363
5.
An ester migration in the rearrangement of a diels–alder adduct of a furan and a phenyl migration in the rearrangement of methyl 3,3,5-triphenylpyrazole-4-carboxylate
Patrick J. Abbott,R. Morrin Acheson,Rowena F. Flowerday,Geoffrey W. Brown J. Chem. Soc. Perkin Trans. 1 1974 1177
6.
Linear 1,4-coupled oligoanilines of defined length: preparation and spectroscopic properties
Izabela Ró?alska,Paulina Ku?yk,Irena Kulszewicz-Bajer New J. Chem. 2004 28 1235
7.
Organic chemistry
J. Chem. Soc. Abstr. 1923 124 i641
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