2-isopropoxyacetanilide | 103855-79-4

• 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: 2-isopropoxyacetanilide
• 英文别名: N-(2-isopropoxyphenyl)acetamide；acetic acid-(2-isopropoxy-anilide)；Essigsaeure-(2-isopropoxy-anilid)；N-(2-propan-2-yloxyphenyl)acetamide
• CAS: 103855-79-4
• 化学式: C₁₁H₁₅NO₂
• mdl: MFCD20355507
• 分子量: 193.246
• InChiKey: SFPULXFJSDUVOZ-UHFFFAOYSA-N

物化性质

• 熔点：
  50 °C(Solv: ligroine (8032-32-4))
• 沸点：
  167 °C(Press: 14 Torr)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-isopropoxyacetanilide 、 氨基苯乙醚 在 三氯氧磷 作用下， 生成 N2-(2-乙氧基苯基)-N1-(2-异丙氧基苯基)乙脒
  参考文献：
  名称：

  Tsatsas et al., Annales Pharmaceutiques Francaises, 1956, vol. 14, p. 607,615,616

  摘要：

  DOI：
• 作为产物：
  描述：

  N-乙酰苯胺 、 异丙醇 在 dipotassium peroxodisulfate 、 甲烷磺酸 、 palladium diacetate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.0h， 以55%的产率得到2-isopropoxyacetanilide
  参考文献：
  名称：

  Palladium-Catalyzed Ortho-Alkoxylation of Anilides via C–H Activation

  摘要：

  A palladium-catalyzed ortho-alkoxylation of anilides with both primary and secondary alcohols via ligand-directed C H activation has been explored. This alkoxylation promoted by catalytic methanesulfonic acid proceeds well at room temperature in most cases and affords aryl alkyl ethers in moderate to good yields.

  DOI：

  10.1021/jo301964m

文献信息

• REMEDIES FOR NEUROPATHIC PAIN
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1182193A1

  公开（公告）日：2002-02-27

  The present invention relates to a compound represented by Formula (I) below: (wherein A represents, for example, phenyl group substituted by R1 and R2, or an unsubstituted furyl group or an unsubstitued thienyl group; R1 represents, for example, hydrogen atom, fluorine atom, chlorine atom, trifluoromethyl group, nitro group, cyano group or methyl group while R2 represents, for example, hydrogen atom; R3 represents, for example, hydrogen atom or methyl group; R4 represents, for example, hydrogen atom or methyl group; R5 represents ethoxy group or isopropoxy group; X represents group: -CH(OH)- or methylene group; and Z represents, for example, a single bond or methylene group unsubstituted or substituted by hydroxyl group), and its salts, and medicinal compositions containing, as their active ingredient, the above compound or its salts. The compound of this invention, which is orally applicable, is highly effective for treating neuroapthic pain while presenting with fewer side-effects than do the conventional analgesics.

  本发明涉及一种化合物，其由以下通式(I)表示：(其中A代表例如被R1和R2取代的苯基，或未被取代的呋喃基或未被取代的噻吩基；R1代表例如氢原子、氟原子、氯原子、三氟甲基、硝基、氰基或甲基，而R2代表例如氢原子；R3代表例如氢原子或甲基；R4代表例如氢原子或甲基；R5代表乙氧基或异丙氧基；X代表基团：-CH(OH)-或亚甲基；Z代表例如单键或未被取代或被羟基取代的亚甲基)，及其盐，以及含有上述化合物或其盐作为活性成分的药物组合物。本发明的化合物可经口给药，对治疗神经痛性疼痛具有高度有效性，且相比传统镇痛药副作用更少。
• FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION
  申请人：Kusakabe Ken-ichi

  公开号：US20120059162A1

  公开（公告）日：2012-03-08

  Provided are a compound represented by general formula (1) and having a TTK inhibitory action and a medicine containing the compound. In formula (1), (X, Y, V, W) is (—N═, ═CR 1 —, ═N—, —CR 7 ═), (—CR 2 ═, ═N—, ═N—, —CR 7 ═), etc.; A is an (un)substituted aromatic hydrocarbon ring, etc.; L is a single bond, —C(═O)—NR A —, etc.; Z is a group represented by the formula —NR 3 R 4 or a group represented by the formula —OR 5 ; R 1 to R 3 , R 6 , and R 7 each is a hydrogen atom, etc.; R 4 and R 5 each is an (un)substituted alkyl, etc.; and R 8 is an (un)substituted cycloalkyl, etc.

  提供了一个由一般式（1）表示的化合物，具有TTK抑制作用，以及含有该化合物的药物。在式（1）中，（X，Y，V，W）为（—N═，═CR1—，═N—，—CR7═），（—CR2═，═N—，═N—，—CR7═），等等；A为（非）取代芳香烃环等；L为一个单键，—C(═O)—NRA—等；Z为由式—NR3R4或式—OR5表示的基团；R1至R3，R6和R7分别是氢原子等；R4和R5分别是（非）取代烷基等；R8是（非）取代环烷基等。
• OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE
  申请人：Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences

  公开号：EP3326715A1

  公开（公告）日：2018-05-30

  The present invention provides oxalic amide ligands and uses thereof in copper-catalyzed coupling reaction of aryl halides. Specifically, the present invention provides a use of a compound represented by formula I, wherein definitions of each group are described in the specification. The compound represented by formula I can be used as a ligand in copper-catalyzed coupling reaction of aryl halides for the formation of C-N, C-O and C-S bonds.

  本发明提供了草酸酰胺配体及其在铜催化的芳基卤化物偶联反应中的用途。具体而言，本发明提供了一种由式 I 代表的化合物的用途，其中各基团的定义在说明书中有所描述。式 I 所代表的化合物可用作铜催化的芳基卤化物偶联反应中的配体，用于形成 C-N、C-O 和 C-S 键。
• Parshad; Sharma, Journal of the Indian Chemical Society, 1990, vol. 67, # 2, p. 150 - 152
  作者：Parshad、Sharma

  DOI：——

  日期：——