一水合氯醛 | 1178760-67-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 一水合氯醛
• 英文名称: chloral monohydrate
• 英文别名: chloral hydrate；trichloroacetaldehyde monohydrate；trichloroacetaldehyde hydrate；2,2,2-Trichloroacetaldehyde hydrate；2,2,2-trichloroacetaldehyde;hydrate
• CAS: 1178760-67-2
• 化学式: C₂HCl₃O*H₂O
• 分子量: 165.404
• InChiKey: JFXVAUXJNBZJOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  一水合氯醛 、 邻苯二酚 在 盐酸 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 2-(3,4-dihydroxyphenyl)-2-hydroxy-1,1,1-trichloroethane
  参考文献：
  名称：

  Cephalosporin antibiotics

  摘要：

  式（I）的头孢菌素化合物：##STR1## 其中：R1是氢或氨基保护基；R2和R3分别是氢或羟基保护基，或形成环状二醇保护基；R4和R5分别是氢或羧基保护基；X和Y分别是氮和碳原子，或碳和氮原子；R6和R7分别是氢或氨基、取代氨基、羟基、烷氧基、C.sub.1-4烷基、羧基或烷氧基羰基基团，或与它们所连接的碳原子共同形成C.sub.3-7环烷基团，当X和Y分别是氮和碳时，或当X和Y分别是碳和氮时，R7是氢或氨基基团；Q是.dbd.CH--或.dbd.N--，或药学上可接受的非毒性盐、生理水解酯、水合物和溶剂合物及其异构体，其异构体具有强效和广谱的抗菌活性。

  公开号：

  US05571804A1
• 作为试剂：
  描述：

  乙基3-(2-呋喃基)-3-羟基丙酸酯 在 dipotassium hydrogenphosphate 、 磷酸 、 一水合氯醛 、 三乙胺 作用下， 以 水 、 甲苯 为溶剂， 以57 g的产率得到2-ethoxycarbonylmethyl-4-hydroxy-2-cyclopenten-1-one
  参考文献：
  名称：

  Processes for the preparation of optically active cyclopentenones and cyclopentenones prepared therefrom

  摘要：

  本发明涉及制备式(R)-1的新型光学活性环戊酮的方法，该方法对于前列腺素及其类似物的制备是有用的。该发明还涉及从这些方法中制备的新型环戊酮。

  公开号：

  US08546114B2

文献信息

• Cephalosporin antibiotics and processes for preparation thereof
  申请人：Lucky, Ltd.

  公开号：US05605895A1

  公开（公告）日：1997-02-25

  The present invention relates to a cephalosporin compound represented by the following general formula (I), its pharmaceutically acceptable non-toxic salt, physiologically hydrolyzable ester, hydrate or solvate, or isomers thereof, which is useful as an antibiotic agent: ##STR1## in which R.sup.1 represents hydrogen or an amino-protecting group, R.sup.2 and R.sup.3 can be identical or different and each represent hydrogen or a hydroxy-protecting group, or R.sup.2 and R.sup.3 together can form a diol-protecting cyclic group, R.sup.4 represents hydrogen or a carboxyl-protecting group, R.sup.5 represents hydrogen, C.sub.1-4 alkyl, alkoxycarbonyl, carboxyl or sulfomethyl, R.sup.6 represents hydrogen, amino or substituted amino, and R.sup.7 represents C.sub.1-4 alkyl, amino or substituted amino, or R.sup.5 and R.sup.6 together with the carbon atoms to which they are attached can form a 3 to 7-membered cyclic group, or R.sup.6 and R.sup.7 together with the carbon and nitrogen atoms to which they are attached can form a 3 to 7-membered heterocyclic ring which may optionally contain additional heteroatoms such as nitrogen and/or oxygen and which may be substituted with the substituents selected from C.sub.1-4 alkyl, amino and substituted amino, and Q represents CH or N.

  本发明涉及一种头孢菌素化合物，其通式如下（I），其药学上可接受的非毒性盐，生理可水解酯，水合物或溶剂化物，或其异构体，用作抗生素药剂：##STR1##其中，R.sup.1代表氢或氨基保护基，R.sup.2和R.sup.3可以相同也可以不同，每个代表氢或羟基保护基，或R.sup.2和R.sup.3可以共同形成二醇保护环状基团，R.sup.4代表氢或羧基保护基，R.sup.5代表氢，C.sub.1-4烷基，烷氧基羰基，羧基或磺甲基，R.sup.6代表氢，氨基或取代氨基，R.sup.7代表C.sub.1-4烷基，氨基或取代氨基，或R.sup.5和R.sup.6与它们连接的碳原子可以形成3到7成员的环状基团，或R.sup.6和R.sup.7与它们连接的碳和氮原子可以形成3到7成员的杂环环，该环可以选择性地含有其他杂原子，如氮和/或氧，并且可以用选择的取代基取代，所述取代基选自C.sub.1-4烷基，氨基和取代氨基，Q代表CH或N。
• Herbicidal composition containing dioxolane, dioxane, or dioxepane
  申请人：Magyar Tudomanvos Akademia Kozponti Kemiai Kutato Intezete Nitrokemia

  公开号：US05116402A1

  公开（公告）日：1992-05-26

  The invention relates to a herbicidal composition which contains, besides binding, wetting, dispersing, emulsifying agents, solvents and/or surface-active substances, herbicides as active agent of thiocarbamate, carbamate, acid amide or urea type alone or in a combination, furthermore as antidote a compound of the general formula I ##STR1## wherein R.sup.1 and R.sup.2, independently of each other, are hydrogen, C.sub.1-6 alkyl, C.sub.2-6 alkenyl, C.sub.1-4 cyanoalkyl, C.sub.1-6 haloalkyl, phenyl-C.sub.1-4 -haloalkyl, phenyl, halogenphenyl, C.sub.1-4 -alkyl-phenyl, C.sub.1-4 -alkoxyphenyl, furfuryl; R.sup.3 and R.sup.4, independently of each other, are hydrogen, C.sub.1-18 -alkyl, C.sub.2-4 -haloalkyl, C.sub.2-4 -cyanoalkyl, C.sub.1-4 -alkoxy-C.sub.2-4 -alkyl, C.sub.5-6 -cycloalkyl, phenyl-C.sub.1-4 -alkyl, C.sub.3-4 -alkenyl, phenyl-C.sub.3-4 -alkenyl, di-C.sub.1-4 -alkylamino-C.sub.2-4 -alkyl, hydroxy-C.sub.2-6 -alkyl, furfuryl, tetrahydrofurfuryl, C.sub.1-4 -alkoxy-C.sub.2-4 -alkoxy-C.sub.2-4 -alkyl; R.sup.3 and R.sup.4, together, are C.sub.2-4 -alkylene, C.sub.4 -alkenylene, glucofuranosylene, acetoxy-C.sub.3 -alkylene, C.sub.1-4 -alkoxy-C.sub.3 -alkylene, hydroxy-C.sub.3 -alkylene, halogen-C.sub.3 -alkylene; wherein the quantity of the antidote lies between 0.01 and 15 parts by weight referred to 1 part by weight of herbicidal agent, furthermore the composition contains altogether 0.1 to 95 percent by weight of the herbicidal agents and the antidote.

  本发明涉及一种除草剂组合物，除含有粘合剂、润湿剂、分散剂、乳化剂、溶剂和/或表面活性物质外，还含有硫代氨基甲酸酯、氨基甲酸酯、酸酰胺或脲类除草剂作为活性剂，单独或组合使用，此外还含有一种通式I的抗毒剂： ##STR1## 其中，R1和R2独立地为氢、C1-6烷基、C2-6烯基、C1-4氰基烷基、C1-6卤代烷基、苯基-C1-4-卤代烷基、苯基、卤代苯基、C1-4-烷基-苯基、C1-4-烷氧基苯基、呋喃基；R3和R4独立地为氢、C1-18烷基、C2-4卤代烷基、C2-4氰基烷基、C1-4-烷氧-C2-4-烷基、C5-6环烷基、苯基-C1-4-烷基、C3-4-烯基、苯基-C3-4-烯基、二-C1-4-烷基氨基-C2-4-烷基、羟基-C2-6-烷基、呋喃基、四氢呋喃基、C1-4-烷氧-C2-4-烷氧-C2-4-烷基；R3和R4在一起为C2-4-烷基、C4-烯基、葡萄糖呋喃糖基、乙酰氧-C3-烷基、C1-4-烷氧-C3-烷基、羟基-C3-烷基、卤代-C3-烷基；其中抗毒剂的数量在除草剂的1份重量中为0.01至15份重量，此外，该组合物总含量为0.1至95重量百分比的除草剂和抗毒剂。
• Antifungal bicyclic hetero ring compounds
  申请人：Daiichi Sankyo Company, Limited

  公开号：US07737166B2

  公开（公告）日：2010-06-15

  A 1,6-β-glucan synthetase inhibitor is provided, having potent growth inhibition and having excellent safety. A compound is provided, capable of expressing in a wide spectral range and specifically or selectively, an antifungal effect based on its functional mechanism of 1,6-β-glucan synthesis inhibition. Also provided is a drug, a salt or hydrate thereof, especially an antifungal that contains the compound. Concretely, provided is a compound of the following formula (I), its salt or hydrate, and a drug or antifungal containing, as the active ingredient, the compound, its salt or hydrate:

  提供了一种1,6-β-葡聚糖合成酶抑制剂，具有强效的生长抑制作用和优异的安全性。提供了一种化合物，能够在广泛的光谱范围内表达，并基于其1,6-β-葡聚糖合成抑制的功能机制，具有特异性或选择性的抗真菌作用。此外，还提供了一种药物、其盐或水合物，特别是含有该化合物的抗真菌药物。具体而言，提供了以下式（I）的化合物、其盐或水合物，以及含有该化合物、其盐或水合物作为活性成分的药物或抗真菌药物：
• Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them
  申请人：Ortuno Jean-Claude

  公开号：US20120046287A1

  公开（公告）日：2012-02-23

  Compounds of formula (I): wherein: m and n represent 1 or 2, A represents a pyrrolyl group, X represents a C(O), S(O) or SO 2 group, R 1 and R 2 represent an alkyl group or, together with the nitrogen atom carrying them, form a heterocyclic group, R 3 and R 4 , together with the atoms carrying them, form a heterocyclic group, R 5 represents a hydrogen atom or an alkyl group, R 6 represents a hydrogen atom or a halogen atom. Medicinal products containing the same which are useful in treating cancer.

  式(I)的化合物： 其中，m和n表示1或2，A代表吡咯基团，X代表C（O）、S（O）或SO2基团，R1和R2代表烷基团，或与它们所携带的氮原子一起形成杂环基团，R3和R4与它们所携带的原子一起形成杂环基团，R5代表氢原子或烷基团，R6代表氢原子或卤素原子。含有该化合物的药物对治疗癌症有用。
• Nitrogenated heterocyclic compound and agricultural or horticultural fungicide
  申请人：Shibayama Kotaro

  公开号：US09060517B2

  公开（公告）日：2015-06-23

  An agricultural or horticultural fungicide contains as an active ingredient thereof at least one compound selected from the group consisting of nitrogenated heterocyclic compounds represented by formula (I) (wherein, R represents a group represented by CR1R2R3 or a cyano group, R1 to R3 represent hydrogen atoms, alkyl groups or hydroxyl groups, or the like, X1 represents a halogeno group or the like, m represents an integer of 0 to 5, X2 represents a halogeno group or the like, n represents an integer of 0 to 3, B represents a carbon atom or a nitrogen atom, D represents a 5- to 7-membered hydrocarbon ring, and A1 to A4 represent carbon atoms or nitrogen atoms, provided that A1 to A4 do not all represent carbon atoms when B represents a carbon atom) and salts thereof.

  一种农业或园艺杀菌剂，其活性成分至少包含从以下化合物组成的氮杂环化合物中选择的一种化合物(I)（其中，R表示CR1R2R3或氰基所表示的基团，R1至R3表示氢原子，烷基或羟基等，X1表示卤素基或类似物，m表示0至5的整数，X2表示卤素基或类似物，n表示0至3的整数，B表示碳原子或氮原子，D表示5-至7-成员的碳氢环，A1至A4表示碳原子或氮原子，但当B表示碳原子时，A1至A4不全表示碳原子），以及其盐。