2-{N-(4-aminobutyl)-N-(tert-butoxycarbonyl)}aminomethyl-2,3-dihydrobenzo[b]furan | 159455-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2-{N-(4-aminobutyl)-N-(tert-butoxycarbonyl)}aminomethyl-2,3-dihydrobenzo[b]furan
• 英文别名: tert-butyl N-(4-aminobutyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)carbamate
• CAS: 159455-56-8
• 化学式: C₁₈H₂₈N₂O₃
• 分子量: 320.432
• InChiKey: KWPMBZBDWBZPIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Fluorine-containing benzophenone derivatives
  申请人：Daikin Kogyo Co., Ltd.

  公开号：EP0118661A2

  公开（公告）日：1984-09-19

  A fluorine-containing benzophenone derivative of the formula: wherein R1 is a group of the formula: -OM (in which M is hydrogen or alkali metal), lower alkoxy, lower acyloxy, a group of the formula: (in which R3 and R4 are same or different and hydrogen or lower alkyl) or a group of the formula: -OCH2COOR5 (in which R5 is hydrogen, lower alkyl or alkali metal); R2 is halogen, nitro, chlorosulfonyl, sulfo, trifluoromethyl or a group of the formula: -SCF2H; and m and n are each an integer of 1 to 4 provided that the sum of m and n is not more than 5 having selective herbicidal activities on grasses and crops.

  一种式如下的含氟二苯甲酮衍生物 其中 R1 是式如下的基团：-OM（其中 M 为氢或碱金属）、低级烷氧基、低级酰氧基、式如下的基团：（其中 R3 和 R4 相同或不同，且为氢或低级烷基）或式如下的基团：-OCH2COOR5（其中 R5 为氢、低级烷基或碱金属）；R2 是卤素、硝基、氯磺酰基、磺酰基、三氟甲基或式如下的基团：-SCF2H；m 和 n 各为 1 至 4 的整数，但 m 和 n 之和不超过 5，对禾本科植物和作物具有选择性除草活性。
• Benzodiazepine analogs
  申请人：Merck & Co., Inc.

  公开号：EP0284256A1

  公开（公告）日：1988-09-28

  Benzodiazepin analogs of the formula: are disclosed which are antagonists of gastrin and cholecystokinin (CCK).

  式中的苯二氮卓类似物： 公开了胃泌素和胆囊收缩素（CCK）的拮抗剂。
• Process for the preparation of substituted cyclohexane-1,3,5-triones
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0283152A2

  公开（公告）日：1988-09-21

  A process for preparing a compound of formula (I) which comprises or a salt, acylate or sulphonate derivative thereof; wherein R¹ is an optionally substituted aryl group, R², R³, R⁴ and R⁵ are selected from hydrogen, C₁₋₄ alkyl, C₁₋₄ alkanoyl or -CO₂Rª wherein Rª is C₁₋₄ alkyl or R² and R³ or R⁴ and R⁵ together with the carbon atom to which they are attached form a C₃₋₆ cycloalkyl ring, provided that at least R² and R³ or R⁴ and R⁵ are not both hydrogen and that not more than two of R², R³, R⁴ and R⁵ are C₁₋₄ alkanoyl or -CO₂Rª; which process comprises either; a) reacting a compound of formula (II) wherein R², R³, R⁴ and R⁵ are as defined in relation to formula (I) with a compound of formula (III):       R¹COCN      (III) wherein R¹ is as defined in relation to formula (I) in the presence of a base and a Lewis acid; or b) reacting a compound of formula (VI) with a compound of formula (X) wherein R¹ is as hereinbefore defined, in the presence of a Lewis acid; or c) where R², R³, R⁴ and R⁵ are the same, reacting a compound of formula (XI) with a compound of formula R²X¹ in the presence of a base, wherein X¹ is a leaving group. Certain compounds of formula (I) are novel and these and their use as herbicides form another aspect of the invention.

  一种制备式(I)化合物的工艺，其包括 或其盐、酰基酸盐或磺酸盐衍生物；其中 R¹ 是任选取代的芳基，R²、R³、R⁴ 和 R⁵ 选自氢、C₁₋₄ 烷基C₁₋₄ 烷酰基或-CO₂Rª，其中 Rª 是 C₁₋₄ 烷基或 R² 和 R³ 或 R⁴ 和 R⁵ 与它们所连接的碳原子一起形成 C₃₋₆ 环烷基环、但至少 R² 和 R³ 或 R⁴ 和 R⁵ 不能都是氢，且 R²、R³、R⁴ 和 R⁵ 中不能有两个以上是 C₁₋₄ 烷酰基或 -CO₂Rª；该工艺包括 a) 使式(II)化合物反应 其中 R²、R³、R⁴ 和 R⁵ 如式(I)所定义，与式(III)化合物反应： R¹COCN (III) 其中 R¹ 如式 (I) 所定义，在碱和路易斯酸存在下；或 b) 式（VI）化合物与式（X）化合物反应 与式 (X) 的化合物反应 其中 R¹ 如前定义，在路易斯酸存在下；或 c) 当 R²、R³、R⁴ 和 R⁵ 相同时，使式 (XI) 化合物与式 R²X 的化合物反应 与式 R²X¹ 的化合物在碱存在下反应，其中 X¹ 为离去基团。 某些式(I)化合物是新颖的，这些化合物及其作为除草剂的用途构成了本发明的另一个方面。
• 2,3-DIHYDROBENZOFURAN DERIVATIVE
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0679649A1

  公开（公告）日：1995-11-02

  A 2,3-dihydrobenzofuran derivative represented by general formula (I) or a salt thereof, a process for producing the same, and a use thereof, wherein R₁ represents hydrogen or lower alkyl; n represents an integer of 2 to 6; A represents CO or SO₂; R₂ represents hydrogen, halogen, optionally halogenated lower alkyl, lower alkoxy, hydroxy, nitro or cyano; and symbol * represents an asymmetric carbon atom. The derivative and salt thereof have a potent affinity for serotonin 1A receptors and are useful as remedies for diseases related to serotonergic nervous systems, such as anxyolytic agent, antidepressant, hypotensive and antiemetic including kinesia remedy, space sickness remedy and antivertigo drug.

  一种通式(I)代表的2,3-二氢苯并呋喃衍生物或其盐，一种生产工艺及其用途，其中R₁代表氢或低级烷基；n代表2至6的整数；A代表CO或SO₂；R₂代表氢、卤素、任选卤代低级烷基、低级烷氧基、羟基、硝基或氰基；符号*代表不对称碳原子。该衍生物及其盐对 5-羟色胺 1A 受体有很强的亲和力，可用于治疗与 5-羟色胺能神经系统有关的疾病，如解痉剂、抗抑郁剂、降压药和止吐药，包括运动病治疗药、太空病治疗药和抗眩晕药。
• NOVEL 2,3-DIHYDROBENZOFURAN DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0769496A1

  公开（公告）日：1997-04-23

  Disclosed are a 2,3-dihydrobenzofuran derivative represented by formula (1) or a salt thereof, a method for producing the same, and use thereof:    wherein R1 represents a hydrogen atom or a lower alkyl group; R2 represents a naphthyl group, a pyridyl group, a furyl group or a thienyl group; n is an integer of from 2 to 6; A represents a carbonyl group or a sulfonyl group; and * represents an asymmetric carbon atom. The 2,3-dihydrobenzofuran derivatives of the present invention and the non-toxic salts thereof have a strong affinity for serotonin 1A receptors. Therefore, are useful as pharmaceutical composition containing the 2,3-dihydrobenzofuran derivatives and the non-toxic salts thereof are especially useful for treating a serotonergic neuron-related disease, such as anxiety, depression, eating disorder, high blood pressure, emesis (including emesis induced by motion sickness, space sickness, dizziness and drug, etc.) and the like.

  本发明公开了式(1)代表的2,3-二氢苯并呋喃衍生物或其盐、生产方法及其用途： 其中 R1 代表氢原子或低级烷基；R2 代表萘基、吡啶基、呋喃基或噻吩基；n 为 2 至 6 的整数；A 代表羰基或磺酰基；* 代表不对称碳原子。 本发明的 2,3-二氢苯并呋喃衍生物及其无毒盐对血清素 1A 受体有很强的亲和力。因此，作为含有 2,3-二氢苯并呋喃衍生物及其无毒盐的药物组合物，特别适用于治疗与血清素能神经元有关的疾病，如焦虑、抑郁、饮食失调、高血压、呕吐（包括晕车、晕船、晕眩和药物等引起的呕吐）等。