4-甲基苯磺酸,4-甲基吗啉

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲基苯磺酸,4-甲基吗啉
• 英文名称: 4-methylmorpholinium toluene-4-sulfonate
• 英文别名: N-methylmorpholine 4-toluenesulphonate；N-methylmorpholinium p-toluenosulphonate；N-methylmorpholine tosylate；4-Methylbenzenesulfonate;4-methylmorpholin-4-ium；4-methylbenzenesulfonate;4-methylmorpholin-4-ium
• 化学式: C₅H₁₁NO*C₇H₈O₃S
• 分子量: 273.353
• InChiKey: IBSGQXOKAXQZTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-甲基苯磺酸,4-甲基吗啉 、 2-氯-4,6-二甲氧基-1,3,5-三嗪 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以72%的产率得到4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium toluene-4-sulfonate
  参考文献：
  名称：

  抗衡离子和叔胺对 N-三嗪基磺酸铵溶液和固相肽合成效率的影响

  摘要：

  根据“超活性酯”的概念设计的一系列 N-三嗪基磺酸铵是通过用 2-氯-4,6-二甲氧基-1,3,5-三嗪处理磺酸铵而获得的。叔胺和磺酸根阴离子的结构影响它们在 N,N-二甲基甲酰胺 (DMF) 溶液中的反应性和稳定性。该试剂已成功用于含天然和非天然空间位阻氨基酸的 Z-、Boc- 和 Fmoc 保护肽的溶液和固相合成以及 [2+1] 片段缩合方法，产生最终产品80-100% 的产率和高光学纯度。在 [Aib]2[Aib]4-脑啡肽类似物和 ACP(65-74) 肽片段 VQAAIDYINEG 的手动 SPPS 中，几种磺酸盐产生肽的速度明显快于 TBTU 或 HATU。

  DOI：

  10.1002/ejoc.201402862
• 作为产物：
  描述：

  N-甲基吗啉 、 对甲苯磺酸 在 丙二醇甲醚 作用下， 以 水 为溶剂， 生成 4-甲基苯磺酸,4-甲基吗啉
  参考文献：
  名称：

  TW2022/4307

  摘要：

  公开号：
• 作为试剂：
  描述：

  1-(二甲氧基甲基)-2,3-二甲氧基苯 、 L-脯氨酸 在 4-甲基苯磺酸,4-甲基吗啉 作用下， 生成
  参考文献：
  名称：

  1,3-OXAZOLIDIN-5-ONES DERIVED FROM PROLINE AS CHIRAL COMPONENTS IN THE SYNTHESIS OF PREDICTIVE ENANTIOSELECTIVE COUPLING REAGENTS

  摘要：

  1,3-Oxazolid in-5-ones derived from both enantiomers of proline and trichloroacetaldehyde were prepared and applied as an amine component in the synthesis of chiral predictive triazine-based coupling reagents. The reagents were found to be useful in condensations yielding enantiomerically enriched products from racemic substrates.

  DOI：

  10.32383/appdr/78726

文献信息

• Process for preparing optically active 2-[6-(hydroxy-methyl)-1,3-dioxan-4-yl] acetic acid derivatives
  申请人：Nishiyama Akira

  公开号：US20050080277A1

  公开（公告）日：2005-04-14

  The present invention is to provide a production technology by which an optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl]acetic acid derivative, which are of value as pharmaceutical intermediates, can be produced from inexpensive and readily available starting materials without using any extraordinary equipment such as an ultra-low-temperature reactor. The present invention is a production process of an optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl]acetic acid derivative which comprises reacting an enolate, prepared by permitting a base or a 0-valent metal to act on an acetic acid ester derivative with (S)-β-hydroxy-γ-butyrolactone at a temperature not lower than −30° C. to give a dihydroxyoxohexanoic acid derivative, treating the same with an acylating agent in the presence of a base to produce a dihydroxyoxohexanoic acid monoacyl derivative, reducing this compound with a microorganism to produce a trihydroxyhexanoic acid monoacyl derivative, treating this compound with an acetal-forming reagent in the presence of an acid catalyst to produce an acyloxymethyldioxanylacetic acid derivative, and finally, subjecting this compound to solvolysis in the presence of a base.

  本发明旨在提供一种生产技术，通过该技术可以从廉价且易得的起始材料中生产出具有药物中间体价值的光学活性2-[6-(羟甲基)-1,3-二氧杂环戊-4-基]乙酸衍生物，而无需使用任何特殊设备，如超低温反应器。本发明是一种光学活性2-[6-(羟甲基)-1,3-二氧杂环戊-4-基]乙酸衍生物的生产过程，包括将碱或0价金属作用于乙酸酯衍生物制备出的烯醇，与(S)-β-羟基-γ-丁内酯在不低于-30℃的温度下反应，得到二羟基氧代己酸衍生物，用酰化剂在碱的存在下处理，以产生二羟基氧代己酸单酰衍生物，用微生物还原该化合物以产生三羟基己酸单酰衍生物，用酸催化剂存在下的缩醛试剂处理该化合物，以产生酰氧甲基二氧杂环己酸衍生物，最后，在碱的存在下进行溶剂解离。
• CURABLE COMPOSITION AND CURED PRODUCT, LAMINATE FILM AND ANTIREFLECTIVE FILM USING THE SAME AND POLARIZING PLATE AND IMAGE DISPLAY DEVICE USING THE ANTIREFLECTIVE FILM
  申请人：Noro Masaki

  公开号：US20090128916A1

  公开（公告）日：2009-05-21

  A curable composition, which comprises at least one hydroxyl group-containing polymer, at least one crosslinking agent having a fluorine atom and being reactive with hydroxyl group and at least one curing catalyst; a compound having a specific structure, which is appropriately usable as a crosslinking agent in the curable composition, or a partial condensation product thereof; a cured product obtained by heating the curable composition; a laminate film or an antireflective film having a layer which is formed by coating the curable composition on a transparent support; a polarizing plate wherein the antireflective film is used as one of two protective films for a polarizing film in the polarizing plate; and an image display device wherein the antireflective film or the polarizing plate is employed as the outermost face of the display.

  一种可治疗的组合物，包括至少一个含有羟基的聚合物，至少一个具有氟原子且与羟基反应的交联剂和至少一个固化催化剂；一种具有特定结构的化合物，适当地可用作可治疗组合物中的交联剂，或其部分缩合产物；通过加热可治疗组合物获得的固化产品；通过在透明支撑物上涂覆可治疗组合物形成的层的层压膜或防反射膜；其中防反射膜用作偏光片的两个保护膜之一的偏光片；以及将防反射膜或偏光片用作显示器的最外层面的图像显示装置。
• CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF
  申请人：Matsumoto Takahiro

  公开号：US20100266504A1

  公开（公告）日：2010-10-21

  Provided are a condensed pyridine derivative having a serotonin 5-HT 2C receptor activation action, a prophylactic or therapeutic agent for a lower urinary tract symptom, obesity and/or organ prolapse and the like containing the condensed pyridine derivative, a screening method for a substance that increases leak point pressure upon a rise in the intravesical pressure or a prophylactic or therapeutic drug for stress urinary incontinence, a prophylactic or therapeutic drug for cystoceles or enteroceles, containing a substance that activates serotonin 5-HT 2C receptor, and a method of screening for a therapeutic drug for cystoceles or enteroceles, including increasing an intravesical pressure after bilateral transection of the hypogastric nerve and pudendal nerve of an animal, and measuring a closure response in the urethra, the rectum or the vagina observed at that time. A serotonin 5-HT 2c receptor activator containing a compound represented by the formula: wherein each symbol is as defined in the specification, or a salt thereof.

  提供了一种具有血清素5-HT2C受体激活作用的缩合吡啶衍生物，以及包含该缩合吡啶衍生物的预防或治疗下尿路症状、肥胖和/或器官脱垂等药物，以及增加膀胱内压力时增加泄漏点压力或预防或治疗压力性尿失禁的药物筛选方法，包含激活血清素5-HT2C受体的物质的预防或治疗膀胱脱垂或肠脱垂的药物，以及通过双侧切断动物的会阴神经和耻骨神经后增加膀胱内压力并测量尿道、直肠或阴道在此时观察到的闭合反应的膀胱脱垂或肠脱垂的治疗药物筛选方法。其中包含式的化合物的血清素5-HT2C受体激活剂：式中每个符号如规范中定义的那样，或其盐。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20150045349A1

  公开（公告）日：2015-02-12

  The present invention provides an agent for the prophylaxis or treatment of autoimmune diseases (e.g., psoriasis, rheumatoid arthritis, inflammatory bowel disease, Sjogren's syndrome, Behcet's disease, multiple sclerosis, systemic lupus erythematosus etc.) and the like, which has a superior Tyk2 inhibitory action. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种用于预防或治疗自身免疫性疾病（如牛皮癣、类风湿性关节炎、炎症性肠病、干燥综合征、Behcet病、多发性硬化症、系统性红斑狼疮等）等的药剂，其具有优越的Tyk2抑制作用。本发明涉及一种由式中各符号所定义的化合物或其盐。
• PROCESS FOR PREPARING OPTICALLY ACTIVE 2- 6-(HYDROXY-METHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES
  申请人：KANEKA CORPORATION

  公开号：EP1288213A1

  公开（公告）日：2003-03-05

  The present invention is to provide a production technology by which an optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl]acetic acid derivative, which are of value as pharmaceutical intermediates, can be produced from inexpensive and readily available starting materials without using any extraordinary equipment such as an ultra-low-temperature reactor. The present invention is a production process of an optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl]acetic acid derivative    which comprises reacting an enolate, prepared by permitting a base or a 0-valent metal to act on an acetic acid ester derivative with (S)-β-hydroxy-γ-butyrolactone at a temperature not lower than -30°C to give a dihydroxyoxohexanoic acid derivative,    treating the same with an acylating agent in the presence of a base to produce a dihydroxyoxohexanoic acid monoacyl derivative,    reducing this compound with a microorganism to produce a trihydroxyhexanoic acid monoacyl derivative,    treating this compound with an acetal-forming reagent in the presence of an acid catalyst to produce an acyloxymethyldioxanylacetic acid derivative, and    finally, subjecting this compound to solvolysis in the presence of a base.

  本发明旨在提供一种生产技术，通过该技术，无需使用超低温反应器等任何特殊设备，即可从廉价易得的起始材料中生产出具有光学活性的 2-[6-(羟甲基)-1,3-二氧杂环戊烷-4-基]乙酸衍生物，该衍生物具有医药中间体的价值。 本发明是一种具有光学活性的 2-[6-(羟甲基)-1,3-二氧杂环戊烷-4-基]乙酸衍生物的生产工艺。 其中包括在不低于-30℃的温度下，将通过允许碱或 0 价金属作用于乙酸酯衍生物而制备的烯醇与(S)-β-羟基-γ-丁内酯反应，得到二羟基氧代己酸衍生物、 在碱存在下，用酰化剂处理该衍生物，生成二羟基氧代己酸单酰基衍生物、 用微生物还原该化合物，生成三羟基己酸单乙酰衍生物、 在酸催化剂存在下，用乙缩醛形成试剂处理该化合物，生成酰氧基甲基二氧杂环乙酸衍生物，以及 最后，使该化合物在碱存在下发生溶解反应。