4-Methyl-homophthalsaeure | 67755-56-0

• 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: 4-Methyl-homophthalsaeure
• 英文别名: 2-(Carboxymethyl)-5-methylbenzoic acid
• CAS: 67755-56-0
• 化学式: C₁₀H₁₀O₄
• 分子量: 194.187
• InChiKey: WXLGCMZUBYKXHE-UHFFFAOYSA-N

物化性质

• 沸点：
  393.9±27.0 °C(Predicted)
• 密度：
  1.332±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Methyl-homophthalsaeure 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.33h， 生成 5-methyl-2-{2-oxo-2-[2-((R)-5-pyrimidin-2-yl-indan-1-yl)-2,7-diaza-spiro[3.5]non-7-yl]ethyl}benzoic acid
  参考文献：
  名称：

  2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES

  摘要：

  本发明提供了一种式（I）的化合物或其药用盐，其中R1、R2、Ra、L、Z、Z1和Z2如本文所定义，其作为胃泌素拮抗剂或逆向激动剂；以及其药物组合物；以及通过胃泌素受体拮抗作用治疗疾病、紊乱或病况的方法。

  公开号：

  US20110230461A1
• 作为产物：
  描述：

  6-甲基-1-茚酮 在 叔丁基过氧化氢 、 sodium hydroxide 作用下， 以 水 为溶剂， 以60%的产率得到4-Methyl-homophthalsaeure
  参考文献：
  名称：

  在水性介质中使用 NaOH/TBHP 将芳基酮和苄基腈衍生物无卤氧化成相应的羧酸

  摘要：

  使用便宜的 NaOH 作为碱和水溶液。TBHP (70%) 作为氧化剂，我们开发了一种有效的氧化方法，可将芳基酮和苄基腈衍生物以良好的收率转化为相应的酸。使用该协议可以很容易地以克规模合成几种工业相关的羧酸。

  DOI：

  10.1016/j.tet.2023.133359

文献信息

• Nitrogen-containing heterocyclic compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04163844A1

  公开（公告）日：1979-08-07

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein Y represents an oxygen atom, a sulfur atom, or a group shown by ##STR2## (wherein m is 1 or 2); n represents 0 or 1; R.sub.1 and R.sub.4, which may be the same or different, each represents a hydrogen atom, a lower alkyl group, or a lower alkenyl group; R.sub.2 and R.sub.3, which may be the same or different, each represents a hydrogen atom, a hydroxyl group, a lower alkanoyloxy group, a lower alkyl group or a lower alkenyl group; said R.sub.2 and R.sub.3 may further form together a double bond; R.sub.5 and R.sub.6, which may be the same or different, each represents a hydrogen atom, a halogen atom, a hydroxyl group, a nitro group, an amino group, a lower alkoxy group, a mono or di lower alkylamino group, or a lower alkyl group; said R.sub.5 and R.sub.6 may further form together a lower alkylenedioxy group; and R.sub.7 represents a hydrogen atom, a halogen atom, a lower alkanoyl group, a phenyl group, a phenyl lower alkyl group, a lower alkyl group, a hydroxy lower alkyl group, a di lower alkylamino lower alkyl group, a pyrrolidino lower alkyl group, a piperidino lower alkyl group, a morpholino lower alkyl group, or a 4-lower alkylpiperazino lower alkyl group; (1) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are hydrogen atom and n is 0, said Y is a group shown by ##STR3## and (2) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.7 are hydrogen atom, at least one of said R.sub.5 and R.sub.6 is the aforesaid group other than hydrogen atom, and n is 0, said Y is oxygen atom or a group shown by ##STR4## and the pharmacologically acceptable non-toxic salts thereof. The compounds are strong analgesic anti-inflammatory agents.

  根据以下公式显示的新型含氮杂环化合物：其中Y代表氧原子、硫原子或由##STR2##所示的基团（其中m为1或2）；n代表0或1；R.sub.1和R.sub.4，可以相同也可以不同，分别代表氢原子、低烷基基团或低烯基基团；R.sub.2和R.sub.3，可以相同也可以不同，分别代表氢原子、羟基基团、低烷酰氧基团、低烷基基团或低烯基基团；所述的R.sub.2和R.sub.3还可以一起形成双键；R.sub.5和R.sub.6，可以相同也可以不同，分别代表氢原子、卤素原子、羟基基团、硝基基团、氨基基团、低烷氧基团、单或双低烷基氨基基团或低烷基基团；所述的R.sub.5和R.sub.6还可以一起形成低烷基二氧基基团；R.sub.7代表氢原子、卤素原子、低烷酰基团、苯基团、苯基低烷基基团、低烷基基团、羟基低烷基基团、双低烷基氨基低烷基基团、吡咯啉基低烷基基团、哌啶基低烷基基团、吗啉基低烷基基团或4-低烷基哌嗪基低烷基基团；（1）当所述的R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7为氢原子且n为0时，所述的Y是由##STR3##所示的基团；（2）当所述的R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.7为氢原子，至少其中一个所述的R.sub.5和R.sub.6是上述的非氢原子基团，且n为0时，所述的Y是氧原子或由##STR4##所示的基团，以及其药理学上可接受的无毒盐。这些化合物是强效止痛抗炎剂。
• Synthesis of Isoindoles from Intramolecular Condensation of Benzyl Azides with α-Aryldiazoesters
  作者：Jing Zhu、Rui Li、Yan Su、Peiming Gu

  DOI：10.1021/acs.joc.8b03180

  日期：2019.5.3

  Rh-catalyzed intramolecular condensation of the benzyl azides with α-aryldiazoesters was explored. The reaction proceeded through the nucleophilic attack of the organic azide onto a rhodium carbenoid, while releasing nitrogen gas, affording the α-imino esters as the primary product. Tautomerization of the imino esters efficiently gave 13 desired isoindoles with good to excellent yields.

  探索了Rh催化的叠氮化物与α-芳基重氮酯的分子内缩合。反应通过有机叠氮化物对铑类胡萝卜素的亲核攻击而进行，同时释放氮气，得到α-亚氨基酯作为主要产物。亚氨基酯的互变异构有效地以良好至优异的产率得到13种所需的异吲哚。
• Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones
  作者：Natalia Guranova、Pavel Golubev、Olga Bakulina、Dmitry Dar'in、Grigory Kantin、Mikhail Krasavin

  DOI：10.1039/d1ob00534k

  日期：——

  the expected carbocycles. This reaction is very similar in appearance to the classic 1,2-addition of cyclic anhydrides to imines, often referred to as the Castagnoli–Cushman reaction, but differs in mechanistic details (representing a 1,4-reaction of imine). The developed atom-economical, stereoselective and catalyst- and chromatography-free protocol provided facile access to 28 structurally diverse heterocyclic

  通过查尔酮亚胺和高邻苯二甲酸酐的新型 [4 + 2]-形式环加成反应制备了一系列具有药用价值的二氢吡啶-2(1 H )-酮，这是由亚胺构建内酰胺的罕见例子。四原子构件。与之前关于高邻苯二甲酸酐对类似底物的反应性的研究相比，N-tosyl 查耳酮亚胺，我们发现通过改变氮原子上的取代基来切换化学选择性的可能性，这导致形成杂环而不是预期的碳环。该反应在外观上与环状酸酐与亚胺的经典 1,2-加成非常相似，通常称为 Castagnoli-Cushman 反应，但在机理细节上有所不同（代表亚胺的 1,4-反应）。开发的原子经济、立体选择性和无催化剂和无色谱方案提供了轻松获得 28 种结构不同的杂环产品（产率高达 88%），包括合成具有挑战性的三环和以前未报道的五芳基取代的二氢吡啶-2（1 H） -那些。
• Phenylalanine derivatives
  申请人：United States of America, represented by the Secretary, Department of Health and Human Services

  公开号：US07226991B1

  公开（公告）日：2007-06-05

  Disclosed herein are phenylalanine derivative compounds of the following formula W—Y—(AA)n—Z wherein Y is a phenylalanyl radical, AA is an amino acid, n is an integer of 1 to 15, and substituent variables W and Z are as described herein. The compounds can be used to inhibit SH2 binding with phosphoproteins, and to inhibit proliferation of tumor cells.

  本文公开了以下式子的苯丙氨酸衍生物化合物W—Y—(AA)n—Z，其中Y是苯丙氨酰基，AA是氨基酸，n是1到15的整数，取代变量W和Z如本文所述。这些化合物可用于抑制SH2与磷酸化蛋白的结合，并抑制肿瘤细胞的增殖。
• Tetrahydroisoquinoline compounds and fungicides containing the same
  申请人：Tosoh Corporation

  公开号：US05330991A1

  公开（公告）日：1994-07-19

  Tetrahydroisoquinoline derivatives of the following formula [I] and acid addition salts thereof, and ##STR1## (wherein in all of these formulae, R.sup.1 represents C.sub.1 -C.sub.5 straight or branched alkyl, C.sub.2 -C.sub.5 straight or branched alkenyl or C.sub.2 -C.sub.5 straight or branched alkynyl; R.sup.2 represents hydrogen atom, C.sub.1 -C.sub.10 straight or branched alkyl, C.sub.2 -C.sub.10 straight or branched alkenyl, C.sub.2 -C.sub.10 straight or branched alkynyl, C.sub.1 -C.sub.10 straight or branched alkoxy, C.sub.2 -C.sub.10 straight or branched alkenyloxy, C.sub.2 -C.sub.10 straight or branched alkynyloxy, or C.sub.1 -C.sub.10 straight or branched halogenated alkyl; R.sup.3, R.sup.4 R.sup.5 and R.sup.6, the same or different represent hydrogen atom, C.sub.1 -C.sub.10 straight or branched alkyl, C.sub.2 -C.sub.10 straight or branched alkenyl, C.sub.2 -C.sub.10 straight or branched alkynyl, C.sub.1 -C.sub.10 straight or branched alkoxy, C.sub.2 -C.sub.10 straight or branched alkenyloxy, C.sub.2 -C.sub.10 straight or branched alkynyloxy or halogen atom, with the proviso that R.sup.3, R.sup.4, R.sup.5 and R.sup.6 are not hydrogen atoms simultaneously).

  以下为公式[I]的四氢异喹啉衍生物及其酸加成盐，以及##STR1##（在所有这些公式中，R.sup.1代表C.sub.1-C.sub.5直链或支链烷基，C.sub.2-C.sub.5直链或支链烯基或C.sub.2-C.sub.5直链或支链炔基；R.sup.2代表氢原子，C.sub.1-C.sub.10直链或支链烷基，C.sub.2-C.sub.10直链或支链烯基，C.sub.2-C.sub.10直链或支链炔基，C.sub.1-C.sub.10直链或支链烷氧基，C.sub.2-C.sub.10直链或支链烯氧基，C.sub.2-C.sub.10直链或支链炔氧基或C.sub.1-C.sub.10直链或支链卤代烷基；R.sup.3，R.sup.4，R.sup.5和R.sup.6相同或不同，代表氢原子，C.sub.1-C.sub.10直链或支链烷基，C.sub.2-C.sub.10直链或支链烯基，C.sub.2-C.sub.10直链或支链炔基，C.sub.1-C.sub.10直链或支链烷氧基，C.sub.2-C.sub.10直链或支链烯氧基，C.sub.2-C.sub.10直链或支链炔氧基或卤原子，但R.sup.3，R.sup.4，R.sup.5和R.sup.6不能同时为氢原子）。