5-oxotetrahydrothiophene-3-carboxylic acid | 28525-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环戊烷
• 英文名称: 5-oxotetrahydrothiophene-3-carboxylic acid
• 英文别名: thioparaconic acid；5-oxo-tetrahydro-thiophene-3-carboxylic acid；5-Oxo-tetrahydro-thiophen-3-carbonsaeure；tetrahydro-5-oxo-3-thiophenecarboxylic acid；5-Oxothiolane-3-carboxylic acid
• CAS: 28525-50-0
• 化学式: C₅H₆O₃S
• mdl: MFCD03426805
• 分子量: 146.167
• InChiKey: QLISCFVTVRXTSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-oxotetrahydrothiophene-3-carboxylic acid 在 劳森试剂 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 21.5h， 生成 tetrahydro-5-thioxo-3-thiophenecarboxylic acid methyl ester
  参考文献：
  名称：

  A new type of plant activator: synthesis of thieno[2,3-d ][1,2,3]thiadiazole-6-carboxylic acid derivatives via Hurd–Mori cyclization

  摘要：

  我们提出了一种以廉价且容易获得的亚甲基丁二酸和硫代乙酸为起始原料的标题化合物的简短而有效的合成方法。优化的序列允许通过几个步骤大规模制备这种新型植物活化剂。邻位锂化用于将取代基引入5-位。建议对 Hurd–Mori 反应的反应机制进行修改来解释意外的芳构化。

  DOI：

  10.1039/a708375k
• 作为产物：
  描述：

  衣康酸 在 盐酸 、 水 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 11.0h， 生成 5-oxotetrahydrothiophene-3-carboxylic acid
  参考文献：
  名称：

  Preparation of Carboxythiolactones and Their Active Derivatives

  摘要：

  肽基免疫原的设计需要将许多元件共价连接以能够发生适当的免疫反应。其中两个元素是：(a) T 细胞序列，经过加工后，与主要组织相容性复合体 (MHC) 分子和 T 细胞受体结合；(b) B 细胞序列，包含最终将被识别的原子群通过所需的抗体。我们的概念旨在实现这一目标，涉及单个分子，该分子可以在一锅中以不连续的步骤结合三个肽。迄今为止未知的活化的羧基硫内酯提供了这样的系统：两个对不同速率的亲核攻击敏感的酰基位点和一个对亲电烷基化敏感的释放的硫醇。这样一组硫内酯及其衍生物已经由廉价的起始原料合成，并且它们的反应性正在研究中。如果成功，该系统不仅将消除较长线性肽的困难合成，而且还将允许各种元素的快速结构排列。

  DOI：

  10.1055/s-1999-3377

文献信息

• Synthesis of thiolactone building blocks as potential precursors for sustainable functional materials
  作者：Daniel Frank、Pieter Espeel、Sven Claessens、Edwin Mes、Filip E. Du Prez

  DOI：10.1016/j.tet.2016.08.076

  日期：2016.10

  to multi-gram amounts of the targeted compounds and enabling up-scaling experiments for promising compounds in the area of functional coatings. Aspects considered during selection of targets and synthesis pathways included functional diversity, expected physical properties, sustainability and commercial availability of reagents, as well as feasibility to achieve an industrially relevant process. Trends

  使用简单的化学路线合成了来自同型半胱氨酸硫代内酯和硫代对苯二酸的多功能单体库。已开发出通用方案，可产生多克数量的目标化合物，并能够在功能性涂料领域进行有希望的化合物的放大实验。选择靶标和合成途径时考虑的方面包括功能多样性，预期的物理性质，试剂的可持续性和商业可用性以及实现与工业相关的过程的可行性。在产率，物理性质和化学行为方面观察到趋势。
• Dedicated Asthma Center Improves the Quality of Care and Resource Utilization for Pediatric Asthma: A Multicenter Study
  作者：David S. Battleman、Mark A. Callahan、Steven Silber、Cynthia I. Mun∼oz、Lucia Santiago、Joseph Abularrage、Hadi Jabbar

  DOI：10.1111/j.1553-2712.2001.tb00189.x

  日期：2001.7

  Objectives: To determine the relative effectiveness of pediatric asthma care among patients treated by a dedicated asthma center (AC) vs children who use the emergency department (ED) as a site of primary asthma care. Methods: A retrospective case—control design was used. A random sample of AC cases was selected from a designated comprehensive AC over a 12‐month period. Concurrent ED control patients were identified from all cases of pediatric asthma from five urban hospitals based on two or more ED visits. Cases and controls were matched (1:2) based on age and National Heart, Lung, and Blood Institute (NHLBI) asthma severity of illness classification. A telephone survey was administered to the caregivers of all enrolled patients in the study sample. Results: Four elements of pediatric asthma care were examined: quality, access, hospital utilization, and functional impact of disease. Demographic data were similar between the ED cases and the AC controls. In terms of quality of care, the AC patients were more likely to use maintenance antiinflammatory medications, 60.2% vs 22.5% (OR = 5.3; 95% CI = 2.9 to 9.7) and more likely to be taking medications at school, 71.4% vs 48.1% (OR = 2.7; 95% CI = 1.5 to 4.7). In terms of access to care, the AC families were more likely to have a physician to call to assist with outpatient management, 98.2% vs 65.0% (OR = 25.3; 95% CI = 9.0 to 76.9). Frequent ED utilization (≥ 1 visit/month) was less likely in the AC patients, 9.2% vs 22.0% (OR = 0.35; 95% CI = 0.16 to 0.79) and school absenteeism was lower as well (9.5 ± 6.7 days vs 16.6 ± 10.3, p < 0.001). Additionally, the caregivers of the AC patients missed fewer workdays (4.7 ± 2.8 vs 7.4 ± 4.1; p = 0.03). Conclusions: Significant disparities in quality, access, resource utilization, and functional impact exist between AC and ED patients. Emergency physicians have a unique opportunity to improve the public health by directing ED patients toward pediatric AC treatment.

  **目标:** 确定儿童哮喘治疗在由专门哮喘中心(AC)治疗的患者与将急诊科(ED)作为主要哮喘治疗场所的儿童之间的相对疗效。 **方法:** 使用回顾性病例对照设计。从指定的综合性哮喘中心随机选择AC病例，时间跨度为12个月。对照组ED患者根据两次或以上的ED就诊次数从五所城市医院的所有儿科哮喘病例中确定。病例和对照组根据年龄和美国国立心肺血液研究所(NHLBI)哮喘严重程度分类以1:2的比例进行匹配。向研究样本中所有入组患者的看护者进行了电话调查。 **结果:** 检查了儿童哮喘治疗的四个要素:质量、可及性、住院利用和疾病的功能影响。ED病例和AC对照组的人口统计数据相似。在治疗质量方面，AC患者更有可能使用维持性抗炎药物，60.2% vs 22.5% (OR = 5.3; 95% CI = 2.9 至 9.7)，并且更有可能在学校服药，71.4% vs 48.1% (OR = 2.7; 95% CI = 1.5 至 4.7)。在治疗可及性方面，AC家庭更有可能有一个可以联系的医生来协助门诊管理，98.2% vs 65.0% (OR = 25.3; 95% CI = 9.0 至 76.9)。频繁的ED利用(≥ 1 次/月)在AC患者中不太可能，9.2% vs 22.0% (OR = 0.35; 95% CI = 0.16 至 0.79)，缺课率也较低(9.5 ± 6.7 天 vs 16.6 ± 10.3 天, p < 0.001)。此外，AC患者看护者缺工时间也较少(4.7 ± 2.8 vs 7.4 ± 4.1 天; p = 0.03)。 **结论:** 在质量、可及性、资源利用和疾病影响方面，AC和ED患者之间存在显著差异。急诊医生有独特的机会通过将ED患者引导至儿科哮喘中心治疗来改善公共健康。
• Microbicides
  申请人：Novartis Finance Corporation

  公开号：US05814629A1

  公开（公告）日：1998-09-29

  The invention relates to novel microbicidal and plant-immunising compounds of formula I ##STR1## wherein: X is hydrogen, halogen, C.sub.1 -C.sub.4 alkyl, SR.sub.8, N(R.sub.9)R.sub.10, CH.sub.2 OH, CHO or COOR.sub.8 ; R.sub.8 to R.sub.10 are hydrogen, C.sub.1 -C.sub.4 alkyl, benzyl, C.sub.1 -C.sub.4 acyl or benzoyl; Z is hydrogen, halogen, or a methyl group that is unsubstituted or to which from 1 to 3 unsubstituted or substituted hetero atoms O, S and/or N are bonded; in free form or in the form of salts. They can be used in crop protection for controlling and preventing disease infestation.

  本发明涉及一种新型杀菌和植物免疫化合物，其化学式为I ##STR1## 其中：X是氢、卤素、C.sub.1-C.sub.4烷基、SR.sub.8、N（R.sub.9）R.sub.10、CH.sub.2OH、CHO或COOR.sub.8；R.sub.8到R.sub.10是氢、C.sub.1-C.sub.4烷基、苯甲基、C.sub.1-C.sub.4酰基或苯甲酰基；Z是氢、卤素或一个未取代或与1到3个未取代或取代的杂原子O、S和/或N结合的甲基基团；以自由形式或盐的形式存在。它们可用于作物保护，控制和预防疾病侵染。
• [EN] COMPOSITION COMPRISING BISTHIOLACTONES AND PROCESS FOR TREATING KERATIN MATERIALS USING SAME<br/>[FR] COMPOSITION COMPRENANT DES BISTHIOLACTONES ET PROCÉDÉ DE TRAITEMENT DE MATIÈRES KÉRATINIQUES L'UTILISANT
  申请人：OREAL

  公开号：WO2018115091A1

  公开（公告）日：2018-06-28

  The present invention relates to i) a process for treating keratin materials, in particular human keratin fibres, comprising the application of a composition comprising at least one bisthiolactone of formula (I), in particular for shaping keratin fibres and/or straightening/relaxing, ii) a composition comprising the bisthiolactone(s) of formula (I), iii) novel bisthiolactones of formula (I), iv) a process for preparing the novel bisthiolactones of formula (I), and v) the use of said bisthiolactones in cosmetics. In which formula (I), R1, R2, R3, R4, X, X', Y, Y', A, A', B, a, b, c, and d are as defined in the description.

  本发明涉及i) 一种处理角蛋白材料的方法，特别是人类角蛋白纤维，包括应用包含至少一个式(I)的双硫内酯的组合物，特别是用于造型角蛋白纤维和/或拉直/放松，ii) 包括式(I)的双硫内酯的组合物，iii) 新型的式(I)的双硫内酯，iv) 制备新型式(I)的双硫内酯的方法，以及v) 在化妆品中使用所述双硫内酯。其中，式(I)中，R1、R2、R3、R4、X、X'、Y、Y'、A、A'、B、a、b、c和d如所述的描述。
• Schjanberg, Chemische Berichte, 1942, vol. 75, p. 468,479 - 481
  作者：Schjanberg

  DOI：——

  日期：——