Diethyl 2-benzoylmalonate 2-苯甲酰基丙二酸二乙酯

CAS 1087-97-4 MFCD00059381

化学结构图

1087-97-4
SMILES: CCOC(=O)C(C(=O)OCC)C(=O)c1ccccc1

化学属性

Mol. FormulaC14H16O5
Mol. Weight264.27
Boiling Point195 °C at 14 mmHg
Melting Point166 °C
Refractive index1.5070 to 1.5100
Density1,15 g/cm3

别名和识别编码

Chemical NameDiethyl 2-benzoylmalonate
CAS Number1087-97-4
Alfabeta NameDIETHYLBENZOYLMALONATE 2-
MDL NumberMFCD00059381
Reaxys-RN2700659
PubChem Substance ID569310
Chemical Name Translation2-苯甲酰基丙二酸二乙酯
Synonym Diethyl 2-benzoylmalonate {LY} Diethyl 2-benzoylmalonate {} {LY} Diethyl 2-benzoylmalonate {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-benzoylmalonate {} {} {} {} {} {} {} {} {} {} {
LabNetwork Molecule IDLN00146301
InChIInChI=1S/C14H16O5/c1-3-18-13(16)11(14(17)19-4-2)12(15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
Canonical SMILESCCOC(=O)C(C(=O)C1=CC=CC=C1)C(=O)OCC
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分类

  • {KO} Ketones
  • {KO} Esters

安全信息

Warnings IRRITANT
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
Rotatable Bonds
8
H-bond Donors
0
LogP
1

其他信息

  • TCI Shanghai:苯甲酰丙二酸二乙酯 Benzoylmalonic Acid Diethyl Ester,>;95.0%(GC)(1087-97-4)
  • MOL 文件:1087-97-4.mol
  • 图谱信息:苄酰丙二酸二乙酯(1087-97-4)质谱(MS) 苄酰丙二酸二乙酯(1087-97-4)Raman光谱 苄酰丙二酸二乙酯(1087-97-4)红外图谱(IR1) 苄酰丙二酸二乙酯(1087-97-4)核磁图( 1 HNMR) 苄酰丙二酸二乙酯(1087-97-4)核磁图( 13 CNMR)
  • 苄酰丙二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0209 苯甲酰丙二酸二乙酯 Diethyl Benzoylmalonate 25G 2340元

系列性分类

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