2,6-吡啶二羧酸二乙酯 | 15658-60-3
中文名称:
2,6-吡啶二羧酸二乙酯
英文名称:
Diethyl 2,6-pyridinedicarboxylate
CAS No.:
15658-60-3
分子式:
C1 1 H1 3 NO4
分子量:
223.2252
名称和标识符
MDL
MFCD00033792
InChIKey
KTOBUCHVPBPHMK-UHFFFAOYSA-N
Inchi
1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
SMILES
O(C([H])([H])C([H])([H])[H])C(C1C([H])=C([H])C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])N=1)=O
别名信息
- 中文别名 -
2,6-吡啶二羧酸二乙酯
2,6-吡啶二甲酸二乙酯
Diethyl 2,6-Pyridinedicarboxylate 2,6-吡啶二甲酸二乙酯
- 英文别名 -
Diethyl pyridine-2,6-dicarboxylate
Diethyl 2,6-pyridinedicarboxylate
2,6-diethyl pyridine-2,6-dicarboxylate
2,6-pyridine dicarboxylic ethyl ester
2,6-pyridinecarboxylic acid diethyl ester
2,6-pyridinedicarboxylic acid diethyl ester
diethyl 2,6-dipicolinate
Diethyl Dipicolinate
diethyl-2,6-pyridinedicarbonyl
diethylpyridin-2,6-dicarboxylat
ethyl 6-(ethoxycarbonyl)pyridine-2-carboxylate
PubChem13199
pyridine-2,6-dicarboxylic acid ethyl ester
SBB053817
Dipicolinic Acid Diethyl Ester
2,6-Pyridinedicarboxylicacid, diethyl ester (6CI,8CI,9CI)
2,6-Bis(ethoxycarbonyl)pyridine
2,6-Dicarbethoxypyridine
NSC 78907
Diethyldipicolinate
2,6-Pyridinedicarboxylic acid, 2,6-diethyl ester
MLS000084648
NS92Z2IS34
KTOBUCHVPBPHMK-UHFFFAOYSA-N
SMR000018996
2,6-Pyridinedicarboxylic acid, diethyl ester
2,6-Dicarbethoxypyridi
2,6-Pyridinedicarboxylic Acid Diethyl Ester
Dipicolinic acid diethyl ester
CCG-103096
AB00404148-10
SR-01000388951
Opera_ID_820
MFCD00033792
NS00025086
diethylpyridine-2,6-dicarboxylate
TS-00541
AC-30700
W-205803
15658-60-3
Q27285037
SCHEMBL1478915
EN300-117535
SR-01000388951-1
AKOS001483097
NSC-78907
Oprea1_663237
KTOBUCHVPBPHMK-UHFFFAOYSA-
diethyl pyridine-2,6-dicarboxylate
Diethyl 2,6-Pyridinedicarboxylic Acid
CS-W010458
HMS2332N11
SY051286
InChI=1/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
Oprea1_198544
FT-0625288
AMY9316
NSC78907
UNII-NS92Z2IS34
CHEMBL1741650
VANILLICACIDHYDRAZIDE
HMS1607K13
EU-0033364
P1240
STR08737
DTXSID50166100
物化性质
实验特性
LogP
1.43500
PSA
65.49
折射率
1.508
沸点
188°C/12mmHg(lit.)
熔点
43.0 to 46.0 deg-C
蒸气压
0.0±0.8 mmHg at 25°C
闪点
163.9°C
颜色与性状
未确定
溶解性
未确定
密度
1.165
计算特性
精确分子量
223.08449
氢键供体数量
0
氢键受体数量
5
可旋转化学键数量
6
同位素质量
223.084
重原子数量
16
复杂度
230
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
0
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)
2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
65.5
相关文献
1.
Influence of noncovalent interactions on the structures of metal–organic hybrids based on a [VO2(2,6-pydc)]? tecton with cations of imidazole, pyridine and its derivatives
Tanja Kole?a-Dobravc,Anton Meden,Franc Perdih New J. Chem. 2015 39 4265
2.
Influence of noncovalent interactions on the structures of metal–organic hybrids based on a [VO2(2,6-pydc)]? tecton with cations of imidazole, pyridine and its derivatives
Tanja Kole?a-Dobravc,Anton Meden,Franc Perdih New J. Chem. 2015 39 4265
3.
The crystal structure of dichloro(diethyl pyridine-2,6-dicarboxylato)-cobalt(II), a chlorine-bridged dimer
Gurdev Singh,D. Bryan Sowerby J. Chem. Soc. Dalton Trans. 1977 490
4.
Flexible covalent tripods in nonadentate podands: synthesis of tris[3-(6-diethylcarbamoylpyridine-2-carboxamido)propyl]amine and its complexing properties with trivalent lanthanides
Fabien Renaud,Carole Decurnex,Claude Piguet,Gérard Hopfgartner J. Chem. Soc. Dalton Trans. 2001 1863
5.
Synthesis and application of PNP pincer ligands in rhodium-catalyzed hydroformylation of cycloolefins
Qianhui Wu,Fanding Zhou,Xiao Shu,Lei Jian,Bin Xu,Xueli Zheng,Maolin Yuan,Haiyan Fu,Ruixiang Li,Hua Chen RSC Adv. 2016 6 107305
6.
Dual roles of ynoates: desymmetrization of dicarboxylic acids using trialkylamines as alkyl equivalents
Xianjun Xu,Liliang Huang,Xiaoying Yin,Erik V. Van der Eycken,Huangdi Feng Org. Chem. Front. 2018 5 2955
7.
Pre-programmed self-assembly of polynuclear clusters
Takuya Shiga,Graham N. Newton,Hiroki Oshio Dalton Trans. 2018 47 7384
参考资料
Reaxys RN
188620
Beilstein
MFCD00033792
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