copper(II) chloride dihydrate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: copper(II) chloride dihydrate
• 英文别名: Copper;chloride;hydrate
• 化学式: 2Cl*Cu*2H₂O
• 分子量: 170.483
• InChiKey: VQSXKKXMSXGLBZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.82
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  copper(II) chloride dihydrate 在 diclazuril 作用下， 以 重水 为溶剂， 生成
  参考文献：
  名称：

  Calculation of magic‐angle spinning nuclear magnetic resonance spectra of paramagnetic solids

  摘要：

  This study provides the first quantitative interpretation of the intensity pattern of spinning sidebands observed in the magic-angle spinning (MAS) NMR spectra of paramagnetic solids. The 200 MHz 1H MAS-NMR spectrum of copper chloride dihydrate and its deuterated analog are reported. The inhomogeneous interactions predominantly responsible for the sidebands are the magnetic dipolar couplings between the nucleus and the thermally-averaged magnetic moments due to the unpaired electrons on copper atoms. It is demonstrated that even in the presence of many such couplings to a given nucleus, a g anisotropy of the unpaired electron, and a chemical shift anisotropy of the nucleus, the net inhomogeneous interaction responsible for the sideband intensities is formally equivalent to a chemical shift tensor. However, inhomogeneous dipolar couplings to other nuclei give rise to subspectra corresponding to individual spin states of the other nucleus; the resultant composite spectrum no longer resembles that arising from a chemical shift tensor. The 1H MAS-NMR spectrum calculated using the known structure of copper chloride dihydrate correctly predicts the overall spectral width and sideband intensity pattern experimentally observed for the deuterated compound, and indicates that the unpaired electron density on the copper atom is partially delocalized (∼15%) onto the neighboring chlorine atoms. Two comparable sources of line broadening in deuterated copper chloride dihydrate are demonstrated to be the magnetic susceptibility anisotropy and T2 relaxation. The isotropic proton chemical shift is shown to be influenced by a small pseudocontact shift (∼10 ppm upfield) and a larger Fermi contact shift (∼76 ppm downfield).

  DOI：

  10.1063/1.454800
• 作为产物：
  描述：

  potassium chloride 、 copper dichloride 以 水 为溶剂， 生成 tetrachlorocuprate(II) 、 copper(l) chloride 、 copper(II) chloride dihydrate
  参考文献：
  名称：

  Murgulescu, J. G., 1937, vol. 7, p. 117 - 122

  摘要：

  DOI：
• 作为试剂：
  描述：

  4-chloro-2H-chromene-3-carbaldehyde 、 乙酰乙酸乙酯 在 ammonium carbonate 、 copper(II) chloride dihydrate 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以66%的产率得到diethyl-4-(4-chloro-2H-chromen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Condensation of 4-chloro-2H-chromene-3-carbaldehydes and ethyl-3-aminocrotonates with p-TsOH: a facile approach for the synthesis of chromenyldihydropyridines

  摘要：

  The investigated reaction of 4-chloro-2H-chromene-3-carbaldehyde 1a with ethyl 3-oxobutanoate 2a in the presence of ammonium acetate provided two compounds, 2H-chromenyldihydropyridine dicarboxylate 3a and chromenopyridine carboxylate 4a. However, the reaction of 1a with ethyl-3-aminocrotonate 5a in the presence of p-TsOH provided selectively 2H-chromenyldihydropyridine dicarboxylate 3a with very good yield. The established method was applied for the preparation of series of 2H-chromenyldihydropyridine dicarboxylates 3a-q.

  DOI：

  10.1080/00397911.2019.1631850

文献信息

• Benzothiazine dioxides as endothelin antagonists
  申请人：Warner-Lambert Company

  公开号：US05599811A1

  公开（公告）日：1997-02-04

  Novel benzothiazine dioxides which are antagonists of endothelin are described, as well as novel intermediates used in their preparation, methods for the preparation, and pharmaceutical compositions of the same, which are useful in treating elevated levels of endothelin, essential renovascular malignant and pulmonary hypertension, cerebral infarction, cerebral ischemia, congestive heart failure, and subarachnoid hemorrhage.

  描述了一种新型苯并噻嗪二氧化物，它们是内皮素拮抗剂，以及用于它们制备的新型中间体，制备方法，以及相同的药物组合物，这些药物组合物在治疗内皮素水平升高、肾血管性恶性高血压和肺动脉高压、脑梗死、脑缺血、充血性心力衰竭和蛛网膜下腔出血方面是有用的。
• Triazine derivatives, and pharmaceutical compositions comprising the same
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04618610A1

  公开（公告）日：1986-10-21

  New triazine derivatives represented by the formula: ##STR1## wherein R.sup.1 is hydrogen or halogen; R.sup.2 is a hydroxy, protected hydroxy, amino, cyano, mercapto, lower alkylthio, arylthio, sulfamoyl, lower alkylsulfonylamino, lower alkylureido, arylureido, lower alkyl-thioureido, aryl-thioureido, lower alkenoylamino, lower alkoxycarbonylamino, lower alkoxy(thiocarbonyl)thio, or cyclic or acyclic alkanoylamino in which the cyclic and acyclic alkanoylamino group may have a substituent selected from lower alkoxy, aryl, hydroxyaryl and protected hydroxyaryl; and X is O or S; and pharmaceutically acceptable salt thereof, which are useful in the treatment of hypertension, thrombosis and ulcer in human beings and animals.

  新的三嗪衍生物的化学式如下：##STR1## 其中 R.sup.1 为氢或卤素；R.sup.2 为羟基、保护羟基、氨基、氰基、巯基、较低烷基硫基、芳基硫基、磺胺基、较低烷基磺酰胺基、较低烷基脲基、芳基脲基、较低烷基硫脲基、芳基硫脲基、较低烯酰胺基、较低烷氧羰基胺基、较低烷氧(硫代羰基)硫基，或环状或非环状脂肪酰胺基，其中环状和非环状脂肪酰胺基可能具有从较低烷氧基、芳基、羟基芳基和保护羟基芳基中选择的取代基；X 为氧或硫；以及其药学上可接受的盐，可用于治疗人类和动物的高血压、血栓和溃疡。
• .beta.-Lactam antibacterial agents
  申请人：Beecham Group Limited

  公开号：US04350703A1

  公开（公告）日：1982-09-21

  Compounds are described of the formula (II): ##STR1## wherein R.sub.1 is a group such that CO.sub.2 R.sub.1 is an ester group; A.sub.1 is a hydrogen atom; and A.sub.2 is a group CR.sub.2 R.sub.3 R.sub.4 wherein R.sub.2 is a hydrogen atom or a hydroxyl group; R.sub.3 is a hydrogen atom or a lower alkyl group; and R.sub.4 is a hydrogen atom or a lower alkyl group, a benzyl group, a phenyl group or is joined to R.sub.3 to form part of a C.sub.5-7 carboxylic ring or is a group of the formula CH(OH)R.sub.5 or CHX wherein R.sub.5 is a hydrogen atom or lower alkyl group and X is an oxygen atom or a CR.sub.6 R.sub.7 group where R.sub.6 is a hydrogen atom or a lower alkyl, phenyl, CN, CO.sub.2 R.sub.8 where R.sub.8 is a lower alkyl, phenyl or benzyl group and R.sub.7 is a hydrogen atom or a lower alkyl group or is joined to R.sub.6 to form part of a C.sub.5-7 carbocyclic ring. These compounds have been found to possess antibacterial properties. The preparation of these compounds is described.

  描述的化合物公式为(II): ##STR1## 其中R1是一个基团，使得CO2R1是一个酯基团；A1是一个氢原子；A2是一个CR2R3R4基团，其中R2是一个氢原子或一个羟基；R3是一个氢原子或一个低级烷基团；R4是一个氢原子或一个低级烷基团、苄基团、苯基团或与R3结合形成一个C5-7羧酸环，或者是一个CH(OH)R5或CHX基团，其中R5是一个氢原子或低级烷基团，X是一个氧原子或一个CR6R7基团，其中R6是一个氢原子或低级烷基、苯基、CN、CO2R8，其中R8是一个低级烷基、苯基或苄基团，R7是一个氢原子或低级烷基团或与R6结合形成一个C5-7碳环。这些化合物具有抗菌性质。这些化合物的制备方法已经描述。
• 4-Allyl azetidinone intermediate for .beta.-lactam antibacterial agents
  申请人：Beecham Group Limited

  公开号：US04401595A1

  公开（公告）日：1983-08-30

  Compounds are provided of the formula (II): ##STR1## wherein R.sub.1 is a group such that CO.sub.2 R.sub.1 is an ester group and A.sub.1 is a hydrogen atom or a methyl group. These compounds possess antibacterial activity. The preparation of these compounds is described.

  提供以下化合物的公式（II）：##STR1## 其中R₁是一个基团，使得CO₂R₁是一个酯基团，并且A₁是一个氢原子或甲基。这些化合物具有抗菌活性。这些化合物的制备方法如下所述。
• In Vitro and in Vivo Imaging of Nitroxyl with Copper Fluorescent Probe in Living Cells and Zebrafish
  作者：Sathyadevi Palanisamy、Yu-Liang Wang、Yu-Jen Chen、Chiao-Yun Chen、Fu-Te Tsai、Wen-Feng Liaw、Yun-Ming Wang

  DOI：10.3390/molecules23102551

  日期：——

  sensitive probe for HNO detection in living cells and the zebrafish model organism, 2-((2-(benzothiazole-2yl)benzylidene) amino)benzoic acid (AbTCA) as a ligand, and its corresponding copper(II) complex Cu(II)-AbTCA were synthesized. The reaction results of Cu(II)-AbTCA with Angeli's salt showed that Cu(II)-AbTCA could detect HNO quantitatively in a range of 40⁻360 µM with a detection limit of 9.05 µM. Furthermore

  硝基氧（HNO）在许多生理过程中起关键作用，包括心力衰竭，神经调节和心肌收缩中的血管舒张。需要强大的成像工具来获取信息，以了解这些体内过程所涉及的机制。为了开发用于活细胞和斑马鱼模型生物中HNO检测的快速和高灵敏度探针，使用2-（（2-（苯并噻唑-2基）亚苄基）氨基）苯甲酸（AbTCA）作为配体，及其相应的铜（II）合成了复杂的Cu（II）-AbTCA。Cu（II）-AbTCA与安吉利盐的反应结果表明，Cu（II）-AbTCA可以定量检测HNO在40⁻360µM范围内，检出限为9.05 µM。此外，Cu（II）-AbTCA对HNO的选择性高于其他生物物种，包括硫醇，活性氮和活性氧。重要的是，Cu（II）-AbTCA已成功应用于检测活细胞和斑马鱼中的HNO。集体数据表明，Cu（II）-AbTCA可用作活体系统HNO检测的潜在探针。