2-methyl-4-oxothiazolidine | 107005-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-methyl-4-oxothiazolidine
• 英文别名: 2-methyl-4-thiazolidinone；2-methyl-thiazolidin-4-one；2-Methyl-thiazolidin-4-on；Methyl-4-thiazolidinone；2-methyl-1,3-thiazolidin-4-one
• CAS: 107005-70-9
• 化学式: C₄H₇NOS
• mdl: MFCD19217103
• 分子量: 117.172
• InChiKey: PHMAYIMFUPPZRE-UHFFFAOYSA-N

物化性质

• 熔点：
  254 °C (decomp)(Solv: acetic acid (64-19-7))
• 沸点：
  326.4±35.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-4-oxothiazolidine 、 邻氨基苯甲酸 在 三氯氧磷 作用下， 反应 2.0h， 以50%的产率得到1-Methyl-3H-thiazolo[4,3-b]quinazolin-9-one
  参考文献：
  名称：

  Dunn, Allan D.; Norrie, Robert, Zeitschrift fur Chemie, 1990, vol. 30, # 8, p. 288 - 289

  摘要：

  DOI：
• 作为产物：
  描述：

  乙缩醛 、 2-巯基乙胺 生成 2-methyl-4-oxothiazolidine
  参考文献：
  名称：

  Ishidate; Hashimoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 73,76

  摘要：

  DOI：

文献信息

• 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related
  申请人：Hoechst-Roussel Pharmaceuticals Incorporated

  公开号：US05229388A1

  公开（公告）日：1993-07-20

  There are disclosed compounds of the formula, ##STR1## where n is 0, 1 or 2; A is ##STR2## where X in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; Y in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, loweralkoxy, amino, cyano, trifluoromethyl or methylthio; m is 1 or 2; k is 1 or 2; R.sub.1 and R.sub.2 are independently hydrogen, loweralkyl, ##STR3## or aryl except that when R.sub.1 is ##STR4## or aryl, R.sub.2 is hydrogen, or alternatively R.sub.1 +R.sub.2 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, indan or piperidine ring; R.sub.3 and R.sub.4 are independently hydrogen or loweralkyl, or alternatively R.sub.3 +R.sub.4 taken together with the carbon atom to which they are attached form a cyclopentane, cyclohexane, cycloheptane, pyran, thiopyran, pyrrolidine or piperidine ring, the term aryl signifying an unsubstituted phenyl group or a phenyl group substituted with 1, 2 or 3 substituents each of which being independently loweralkyl, loweralkoxy, hydroxy, halogen, loweralkylthio, cyano, amino or trifluoromethyl, which are useful as antipsychotic, analgesic, anticonvulsant and anxiolytic agents.

  公式中披露了化合物，其中n为0、1或2；A为其中X在每次出现时独立地为氢、卤素、较低烷基、羟基、硝基、较低烷氧基、氨基、氰基、三氟甲基或甲硫基；Y在每次出现时独立地为氢、卤素、较低烷基、羟基、硝基、较低烷氧基、氨基、氰基、三氟甲基或甲硫基；m为1或2；k为1或2；R.sub.1和R.sub.2独立地为氢、较低烷基、或芳基，但当R.sub.1为或芳基时，R.sub.2为氢，或者R.sub.1 +R.sub.2与它们附着的碳原子一起形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、茚或哌啶环；R.sub.3和R.sub.4独立地为氢或较低烷基，或者R.sub.3 +R.sub.4与它们附着的碳原子一起形成环戊烷、环己烷、环庚烷、吡喃、硫代吡喃、吡咯烷或哌啶环，术语芳基表示未取代的苯基或一个苯基，其上取代基为1、2或3个，每个取代基独立地为较低烷基、较低烷氧基、羟基、卤素、较低烷硫基、氰基、氨基或三氟甲基，这些化合物可用作抗精神病、镇痛、抗癫痫和抗焦虑药物。
• 3-[4-(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinone compounds
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04933453A1

  公开（公告）日：1990-06-12

  3-[4-1-substituted-4-piperazinyl)butyl]-4-thiazolidinone compounds which are useful as antipsychotic, analgesic, anticonvulsant and anxiolytic agents.

  3-[4-（1-取代-4-哌嗪基）丁基]-4-噻唑烷酮化合物可用作抗精神病药、镇痛药、抗抽搐药和抗焦虑药。
• Structure−Activity Relationships of a Series of Novel (Piperazinylbutyl)thiazolidinone Antipsychotic Agents Related to 3-[4-[4-(6-Fluorobenzo[<i>b</i>]thien-3-yl)-1-piperazinyl]butyl]-2,5,5-trimethyl-4- thiazolidinone Maleate
  作者：Nicholas J. Hrib、John G. Jurcak、Deborah E. Bregna、Kendra L. Burgher、Harold B. Hartman、Sharon Kafka、Lisa L. Kerman、Sam Kongsamut、Joachim E. Roehr、Mark R. Szewczak、Ann T. Woods-Kettelberger、Roy Corbett

  DOI：10.1021/jm960268u

  日期：1996.1.1

  butyl thiazolidinones structurally related to this compound were prepared and evaluated in vitro for dopamine D2 and serotonin 5HT2 and 5HT1A receptor affinity. The compounds were examined in vivo in animal models of potential antipsychotic activity and screened in models predictive of extrapyramidal side effect (EPS) liability. The synthesis of these compounds, details of their structure-activity relationships

  HP-236（3- [4- [4-（6-氟苯并[b]噻吩-3-基）-1-哌嗪基]丁基] -2,5,5-三甲基-4-噻唑烷酮马来酸酯； P-9236） （54）显示了潜在的非典型抗精神病药活性的药理学特征。制备了与该化合物结构相关的一系列哌嗪基丁基丁基噻唑烷酮，并在体外评估了多巴胺D2和5-羟色胺5HT2和5HT1A受体的亲和力。在具有潜在抗精神病活性的动物模型中对化合物进行了体内检查，并在预测锥体束外副作用（EPS）责任的模型中进行了筛选。描述了这些化合物的合成，其结构-活性关系的详细信息以及新的先导化合物50的发现，以及化合物50和54的分布图的进一步发展。
• 4-(3-(4-oxothiazolidinyl)butynylamines
  申请人：Hoechst-Roussel Pharmaceuticals Incorporated

  公开号：US05034392A1

  公开（公告）日：1991-07-23

  This invention relates to compounds of the formula ##STR1## where R.sub.1 and R.sub.2 are independently hydrogen or loweralkyl or R.sub.1 and R.sub.2 taken together with the carbon atom to which they are attached form a spiro-fused cycloalkane of 5 to 8 carbons; R.sub.3 and R.sub.4 are independently hydrogen or loweralkyl or R.sub.3 and R.sub.4 taken together with the carbon atom to which they are attached form a spiro-fused cycloalkane of 5 to 8 carbons; R.sub.5 and R.sub.6 taken together with the nitrogen atom to which they are attached are ##STR2## where X in each occurrence is independently hydrogen, halogen, loweralkyl, hydroxy, nitro, amino, cyano, trifluoromethyl or methoxy; and m is 0, 1 or 2; the pharmaceutically acceptable acid addition salts thereof and where applicable the optical and geometrical isomers and racemic mixtures thereof. The compounds of this invention are useful as analgesic and antihypertensive agents.

  这项发明涉及以下公式的化合物##STR1##其中R.sub.1和R.sub.2分别独立地是氢或较低的烷基，或R.sub.1和R.sub.2与它们连接的碳原子一起形成含有5到8个碳原子的螺环融合环烷；R.sub.3和R.sub.4分别独立地是氢或较低的烷基，或R.sub.3和R.sub.4与它们连接的碳原子一起形成含有5到8个碳原子的螺环融合环烷；R.sub.5和R.sub.6与它们连接的氮原子一起是##STR2##其中每次出现的X独立地是氢、卤素、较低的烷基、羟基、硝基、氨基、氰基、三氟甲基或甲氧基；m为0、1或2；其药学上可接受的酸盐以及适用的光学和几何异构体和其外消旋混合物。本发明的化合物可用作镇痛和降压剂。
• Organophosphorus, compounds and insecticidal, miticidal, nematicidal or
  申请人：Ishihara Sangyo Kaisha Ltd.

  公开号：US04783451A1

  公开（公告）日：1988-11-08

  An organophosphorus compound having the formula: ##STR1## wherein X is ##STR2## Z is an oxygen atom or a sulfur atom, and each of R.sub.1 and R.sub.2 is an alkyl group which may be substituted by halogen, alkoxy or alkylthio. The compound is useful as an insecticide, miticide, nematicide or soil pesticide.

  一种有机磷化合物，化学式为：##STR1## 其中X为##STR2##，Z为氧原子或硫原子，R.sub.1和R.sub.2均为烷基，可被卤素，烷氧基或烷硫基取代。该化合物可用作杀虫剂、杀螨剂、线虫杀剂或土壤杀虫剂。