(4-甲氧基苯)(甲基氨基)乙酸 | 91012-98-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (4-甲氧基苯)(甲基氨基)乙酸
• 中文别名: (4-甲氧基苯基)(甲基氨基)乙酸
• 英文名称: (4-methoxyphenyl)(methylamino)acetic acid
• 英文别名: C-(4-methoxyphenyl)-N-methylglycine；N-methyl-C-(4-methoxyphenyl)glycine；N-Methyl-2-(p-methoxyphenyl)glycin；2-(4-methoxyphenyl)-2-(methylazaniumyl)acetate
• CAS: 91012-98-5
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: DUNREJCWEJQCBC-UHFFFAOYSA-N

物化性质

• 熔点：
  260 °C
• 沸点：
  325.6±37.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  (4-甲氧基苯)(甲基氨基)乙酸 在 sodium hydroxide 、 乙酸酐 作用下， 以 四氯化碳 为溶剂， 反应 1.75h， 生成 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-methyloxazolium-5-olate
  参考文献：
  名称：

  Clerici, Francesca; Erba, Emanuela; Mornatti, Pierluigi, Chemische Berichte, 1989, vol. 122, p. 295 - 300

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲氧基苯乙酸 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 、 水 为溶剂， 反应 33.0h， 生成 (4-甲氧基苯)(甲基氨基)乙酸
  参考文献：
  名称：

  Vinylogous carbinolamine tumor inhibitors. 19. Synthesis and antineoplastic activity of bis[[[(alkylamino)carbonyl]oxy]methyl]-substituted 3-pyrrolines as prodrugs of tumor inhibitory pyrrolebis(carbamates)

  摘要：

  A series of bis[(carbamoyloxy)methyl]pyrrolines 2-4 were synthesized from either the appropriate alpha-silylated iminium salt, or an aziridine, or a 2H-azirine in a sequence involving 1,3-dipolar cycloaddition reactions. The antineoplastic activities of the pyrrolines were compared to the corresponding pyrroles. The C-2 gem-dimethyl-substituted pyrroline, 4, which cannot be converted to the pyrrole in vivo, was inactive. The activity of the 2-phenyl-substituted pyrrolines 3 was markedly dependent on the nature of the phenyl substituent, although the corresponding phenylpyrroles all showed comparable activity. The differences in the activities of the pyrrolines 3 may be due to the rate of metabolic conversion of the pyrroline to the pyrrole. Electron-withdrawing substituents on the phenyl ring appear to retard this process.

  DOI：

  10.1021/jm00161a019

文献信息

• 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE
  申请人：BARBOSA Joseph

  公开号：US20120302562A1

  公开（公告）日：2012-11-29

  Compounds that may be used to inhibit Notum Pectinacetylesterase are described, as well as compositions comprising them, and methods of their use to treat diseases and disorders affecting bone.

  描述了可以用来抑制Notum果胶乙酰酯酶的化合物，以及包含它们的组合物，以及它们用于治疗影响骨骼的疾病和紊乱的方法。
• Influence of the aromatic substitutes in the thermal and kinetic behavior of mesoionic compounds of the 1,3-thiazole-5-tiolate system
  作者：Soraya Alves de Morais、Crislene Rodrigues da Silva Morais、Petrônio Filgueiras de Athayde Filho、Bruno Freitas Lira、Marcos Antonio feitosa de Souza

  DOI：10.1016/j.jallcom.2009.12.002

  日期：2010.4

  Abstract In this work, three mesoionic compounds of the 1,3-thiazole-5-tiolat system were studied, derived from amino acids of the glycerin through 1,3-dipolar cyclo-addition/reversion reaction. The mesoionic compounds were characterized as: MI-1 (mesoionic 2-(4-chlorophenyl)-3-methyl-4-phenyl-1,3-thiazole-5-tiolat); MI-2 (mesoionic 2-(4-chlorophenyl)-3-methyl-4-(4-isopropylphenyl)-1,3-thiazole-5-tiolat)

  摘要 在这项工作中，研究了 1,3-噻唑-5-硫醇酯系统的三种介离子化合物，它们通过 1,3-偶极环加成/回复反应衍生自甘油的氨基酸。介离子化合物的特征为：MI-1（介离子 2-（4-氯苯基）-3-甲基-4-苯基-1,3-噻唑-5-噻吩）；MI-2 (mesoionic 2-(4-chlorophenyl)-3-methyl-4-(4-isopropylphenyl)-1,3-thiazole-5-tiolat) 和 MI-3 (Mesoionic 2-(4-clorophenyl)-3 -甲基-4-(甲氧基苯基)-1,3-噻唑-5-硫醇酸酯)。这些化合物通过红外光谱 (IR)、核磁共振 (NMR)、热重 (TG) 和差示扫描量热仪 (DSC) 进行表征。此外，通过非等温热重法对热分解的动力学研究已经实现，展示了这些化合物的动力学和热行为。光谱分析的结果证实了合成的介离子化合物的结构。介离子化合物
• Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto
  申请人：Zhu Yun-Fei

  公开号：US20080262005A1

  公开（公告）日：2008-10-23

  Compounds having utility as GnRH receptor antagonists and for treatment of a variety of sex-hormone related conditions in both men and women. Such compounds have the following structure (I): (I) wherein R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , R 6 , R 7 , n and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of structure (I) in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  具有GnRH受体拮抗剂实用性的化合物，用于治疗男性和女性的多种性激素相关疾病。这些化合物具有以下结构（I）：（I）其中R1a，R1b，R1c，R2a，R2b，R3，R4，R5，R6，R7，n和X如此定义，包括立体异构体，前药和其药物学上可接受的盐。还披露了含有结构（I）的化合物和药学上可接受的载体的组合物，以及与使用其在需要拮抗促性腺激素释放激素的受试者相关的方法。
• 1,3-thiazolium-5-thiolates mesoionic compounds: semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples
  作者：Bruno F. Lyra、Soraya A. de Morais、Gerd B. Rocha、Joseph Miller、Gustavo L. C. Moura、Alfredo M. Simas、Clovis Peppe、Petrônio F. de Athayde-Filho

  DOI：10.1590/s0103-50532010000500024

  日期：——

  Semiempirical AM1-TDHF calculations of the static first hyperpolarizabilities, beta(0), of 1,3-thiazolium-5-thiolate mesoionic derivatives were performed. Guided by these results, two new mesoionic compounds - 2-(4-nitrophenyl)-3-methyl-4-(methylphenyl)-1,3-thiazolium-5-thiolate and 2-(4-nitrophenyl)-3-methyl-4-(methoxyphenyl)-1,3-thiazolium-5-thiolate - were synthesized and characterized by analytical and spectroscopic means.
• CLERICI, FRANCESCA;ERBA, EMANUELA;MORNATTI, PIERLUIGI;TRIMARCO, PASQUALIN+, CHEM. BER., 122,(1989) N, C. 295-300
  作者：CLERICI, FRANCESCA、ERBA, EMANUELA、MORNATTI, PIERLUIGI、TRIMARCO, PASQUALIN+

  DOI：——

  日期：——