N-methallyl-p-toluidine | 22774-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-methallyl-p-toluidine
• 英文别名: N-Methallyl-p-toluidin；N-(2-Methylallyl)-p-toluidine；4-methyl-N-(2-methylprop-2-enyl)aniline
• CAS: 22774-82-9
• 化学式: C₁₁H₁₅N
• mdl: MFCD16470294
• 分子量: 161.247
• InChiKey: UQYCPBCMJQGCSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-methallyl-p-toluidine 在 sodium dithionite 、 三乙胺 、 三苯基膦 、 iron(II) chloride 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 6.05h， 生成 (3,4,4-trimethyl-5-oxo-1-(p-tolyl)pyrrolidin-3-yl)methanesulfonyl fluoride
  参考文献：
  名称：

  通过二氧化硫插入铁催化烯烃的氟磺酰化：内酰胺官能化烷基磺酰氟的合成

  摘要：

  公开了一种新的Fe催化烯烃与Na 2 S 2 O 4和N-氟苯磺酰亚胺(NFSI)的氟磺酰化反应，用于组装各种内酰胺官能化的烷基磺酰氟。在该反应中，Na 2 S 2 O 4既充当SO 2源又充当还原剂。此外，通过六氟化硫交换（SuFEx）点击反应，所得产品可以有效转化为有价值的化学品，包括磺酰酯和磺酰胺。初步机理研究表明该转化通过分子内自由基环化、SO 2插入、亚硫酸根阴离子形成和氟化进行。

  DOI：

  10.1021/acs.orglett.4c02355
• 作为产物：
  描述：

  2-methyl-2-propenyl tosylate 、 乙烷,三氯氟- 生成 N-methallyl-p-toluidine
  参考文献：
  名称：

  Vizgert,R.V. et al., Journal of Organic Chemistry USSR (English Translation), 1969, vol. 5, p. 914 - 919

  摘要：

  DOI：

文献信息

• HIGH PENETRATION COMPOSITIONS AND USES THEREOF
  申请人：Yu Chongxi

  公开号：US20090238763A1

  公开（公告）日：2009-09-24

  The present invention relates to compositions and uses of novel high penetration compositions or high penetration prodrugs (HPP), in particular HPPs for non-steroidal anti-inflammatory agents (NSAIAs), which are capable of crossing biological barriers with high penetration efficiency. The HPPs herein are capable of being converted to parent active drugs or drug metabolites after crossing the biological barrier and thus can render treatments for the conditions that the parent drugs or metabolites can. Additionally, due to the ability of penetrating biological barriers, the HPPs herein are capable of reaching areas that parent drugs may not be able to access or to render a sufficient concentration at the target areas and therefore render novel treatments. The HPPs herein can be administered to a subject through various administration routes. For example, the HPPs can be locally delivered to an action site of a condition with a high concentration due to their ability of penetrating biological barriers and thus obviate the need for a systematic administration. For another example, the HPPs herein can be systematically administer to a biological subject and enter the general circulation with a faster rate.

  本发明涉及新型高渗透性组合物或高渗透性前药（HPP）的组成和用途，特别是用于非甾体抗炎药（NSAIAs）的HPP，其能够高效地穿过生物屏障。这里的HPP能够在穿过生物屏障后转化为父活性药物或药物代谢物，从而可以治疗与父药物或代谢物相关的疾病。此外，由于能够穿过生物屏障，这里的HPP能够到达父药物可能无法进入或无法在目标区域产生足够浓度的区域，从而提供新的治疗方法。这里的HPP可以通过各种给药途径给予受试者。例如，由于其穿透生物屏障的能力，HPP可以在局部给药到疾病作用部位并以高浓度存在，从而避免系统性给药的需要。另一个例子是，这里的HPP可以被系统性地给药到生物体内，并以更快的速率进入循环系统。
• NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：EARL Richard A.

  公开号：US20100093671A1

  公开（公告）日：2010-04-15

  The invention describes novel nitrosated nonsteroidal antiinflammatory drugs (NSAIDs) and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one nitrosated NSAID, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated NSAID, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders.

  该发明描述了新型亚硝酰化非甾体抗炎药（NSAIDs）及其药学上可接受的盐，并且描述了至少包含一种亚硝酰化NSAID和可选的至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性松弛因子的水平或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID和至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，提高内源性内皮源性松弛因子的水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID，可选的至少一种一氧化氮供体和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防使用非甾体抗炎化合物导致的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的方法。
• Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use
  申请人：Earl Richard

  公开号：US20110098253A1

  公开（公告）日：2011-04-28

  The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders comprising administration of novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent.

  该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防非甾体类抗炎化合物使用引起的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的新组合物的给药方法，该组合物包括至少一种硝化的非甾体类抗炎药，以及可选地至少一种捐赠、转移或释放一氧化氮、提高内皮源性松弛因子内源水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物和/或至少一种治疗剂。
• 10.1021/acscatal.4c03757
  作者：Chen, Chen、Ni, Chang、Song, Jia-Hui、Ding, Lu-Yao、Zhang, Xiao-Xu、Guo, Hongda、Wang, Kui、Chen, Zhijun、Zhu, Bolin

  DOI：10.1021/acscatal.4c03757

  日期：——

  one-pot approach for the synthesis of polycyclic fused δ-lactams via the sequential phosgenation, Pd/NBE-catalyzed ortho-carbamoylation/ipso-Heck-type cyclization, and C–H activation from readily available aryl halides, amines, and triphosgenes. This reaction stands out as the first example of the in situ carbamoyl chloride formation from readily available amine precursors, presenting an alternative to

  先进的合成方法的进步可以简化反应过程，同时提高分子的复杂性，这是化学领域永恒的必要条件。催化一锅级联方法在有效构建具有卓越化学选择性的复杂分子中发挥着至关重要的作用。在此，我们提出了一种通过顺序光气化、Pd/NBE催化的邻位氨基甲酰化/原位-Heck型环化以及从容易获得的芳基卤化物中进行C-H活化来合成多环稠合δ-内酰胺的一锅法，胺和三光气。该反应是由容易获得的胺前体原位形成氨基甲酰氯的第一个例子，为涉及氨基甲酰氯的现有转化提供了替代方案。这些方法的实际意义通过以快速且经济有利的方式有效合成 81 种多环稠合 δ-内酰胺而无需中间纯化而得到体现。此外，这些转变具有可扩展性，并且与各种天然产物和药物兼容，进一步强调了该策略的有效性。我们合成的多环稠合δ-内酰胺表现出相对刚性和共面的结构，表现出独特的室温磷光特性，已被用于防伪和高安全级数据加密。
• US2367010
  申请人：——

  公开号：——

  公开（公告）日：——