4-羟基-N-异丙基苯甲酰胺 | 83191-67-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-羟基-N-异丙基苯甲酰胺
• 英文名称: 4-Oxybenz-isopropylamid
• 英文别名: N-isopropyl-p-hydroxy benzamide；N-isopropyl-4-hydroxybenzamide；4-hydroxy-N-isopropylbenzamide；4-hydroxy-N-propan-2-ylbenzamide
• CAS: 83191-67-7
• 化学式: C₁₀H₁₃NO₂
• mdl: MFCD00563307
• 分子量: 179.219
• InChiKey: GOCVDDAVCVFQMM-UHFFFAOYSA-N

物化性质

• 沸点：
  364.4±25.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3-chloro-6-methyl-4-(3-(trifluoromethyl)phenyl)pyridazine 、 4-羟基-N-异丙基苯甲酰胺 在 potassium carbonate 作用下， 反应 5.0h， 以82%的产率得到4-[6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxy-N-propan-2-ylbenzamide
  参考文献：
  名称：

  新型3-（取代的苯氧基）-6-甲基-4-（3-三氟甲基苯基）哒嗪衍生物的设计，合成和生物活性评估

  摘要：

  使用3-（4-氰基苯氧基）-6-甲基-4-（3-三氟甲基苯基）哒嗪（化合物A）作为主要化合物，总共有24种新颖的3-（取代苯氧基）-6-甲基-4-（合成了在苯环上含有两个吸电子基团的3-三氟甲基苯基）哒嗪衍生物（酰胺和肟醚）。对它们的除草，杀虫活性进行了生物测定，化合物CD-2在300 g / ha下对甘蓝型油菜的除草活性为97.6％，在此浓度下优于商品除草剂双氟苯尼草，并且与前者的活性相当。化合物甲。化合物CD-4，CD-5，CJ-3和CJ-5表现出出色的杀灭蚜虫Kaltenbach的杀虫活性（> 95％）。结果表明，肟醚取代基比酰基胺具有更好的漂白和除草活性。对位取代的漂白和除草活性优于间位取代。肟醚哒嗪衍生物苯环上的对位似乎是影响其除草活性的关键活性部位之一。

  DOI：

  10.1002/jhet.2640
• 作为产物：
  描述：

  4-acetoxybenzoyl chloride 、 异丙胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-羟基-N-异丙基苯甲酰胺
  参考文献：
  名称：

  On the Intractability of Estrogen-Related Receptor α as a Target for Activation by Small Molecules

  摘要：

  The estrogen-related receptor alpha (ERR alpha) is a potential target for activation in the treatment of metabolic disease. To date, no small-molecule agonists of ERR alpha have been identified despite several high-throughput screening campaigns. We describe the synthesis and profiling of a small array of compounds designed on the basis of a previously reported agonist-bound crystal structure of the closely related receptor ERR gamma. The results suggest that ERRa may be intractable as a direct target for pharmacologic activation.

  DOI：

  10.1021/jm7012387

文献信息

• [EN] NEW ANTIFIBRINOLYTIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS ANTIFIBRINOLYTIQUES
  申请人：PROYECTO BIOMEDICINA CIMA SL

  公开号：WO2014012964A1

  公开（公告）日：2014-01-23

  It relates to spirocyclic compounds of formula (I),or pharmaceutically or veterinary acceptable salts thereof, or any stereoisomers either of the compounds of formula (I) or of their pharmaceutically or veterinary acceptable salts, wherein A and B form a spirocyclic ring system wherein the spiro atom connecting A and B is a carbonatom and wherein A is a known 3- to 8-membered carbocyclic or heterocyclic monocyclic ring or a known 6- to 18-membered carbocyclic or heterocyclic polycyclic ring system; B is a known 4- to 7-membered carbocyclic or heterocyclic monocyclic ring; C is phenyl or a known 5- to 6-membered heteroaromatic ring; and R1-R7 are as defined herein. It also relates to a process for their preparation, as well as to the intermediates used in this process; to pharmaceutical or veterinary compositions containing them, and to their use in medicine, in particular as antifibrinolytic and antihemorragic agents.

  这涉及到公式(I)的螺环化合物，或其在药用或兽医学上可接受的盐，或者公式(I)化合物或其药用或兽医学上可接受的盐的立体异构体，其中A和B形成一个螺环系统，其中连接A和B的螺原子是一个碳原子，A是已知的3-至8-成员碳环或杂环单环，或已知的6-至18-成员碳环或杂环多环系统；B是已知的4-至7-成员碳环或杂环单环；C是苯基或已知的5-至6-成员杂芳环；R1-R7如此定义。它还涉及到它们的制备方法，以及在该过程中使用的中间体；含有它们的药用或兽医学组合物，以及它们在医学中的用途，特别是作为抗纤溶和抗出血剂。
• Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them.
  申请人：Casara Patrick

  公开号：US20070197625A1

  公开（公告）日：2007-08-23

  A compound selected from those of formula (I): wherein m and n, which may be identical or different, each represent an integer from 0 to 2 inclusive, with the sum of the two integers being from 2 to 3 inclusive, p and q, which may be identical or different, each represent an integer from 0 to 2 inclusive, Alk represents an alkylene, alkenylene or alkynylene chain, X represents an oxygen atom, a sulphur atom or an —N(R)— group wherein R represents a hydrogen atom or an alkyl group, Y, Y′ and W are as defined in the description, its enantiomers, diastereoisomers, and addition salts thereof with one or more pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful for treating conditions associated with central histaminergic systems.

  从式（I）中选择的化合物：其中m和n分别表示0到2之间的整数，可以相同也可以不同，两个整数的和为2到3之间，p和q可以相同也可以不同，每个表示0到2之间的整数，Alk表示烷基，烯基或炔基链，X表示氧原子，硫原子或-N（R）-基团，其中R表示氢原子或烷基团，Y，Y'和W如描述中定义的那样，其对映体，非对映异构体和与一种或多种药学上可接受的酸或碱形成的加合物。含有该化合物的药物制剂可用于治疗与中枢组织胺系统有关的疾病。
• O,O-dialkyl O[p-(N-alkylcarbamoyl)phenyl]phosphorothionates and
  申请人：S. C. Johnson & Son, Inc.

  公开号：US04626528A1

  公开（公告）日：1986-12-02

  Phosphorothionates having the formula ##STR1## wherein R.sub.1 is methyl or ethyl and R.sub.2 is an alkyl having from 3 to 6 carbon atoms. These compounds are useful in baits for the control of fire ants and termites.

  磷酰硫酸酯的化学式为##STR1##其中R.sub.1为甲基或乙基，R.sub.2为碳链长度为3到6的烷基。这些化合物可用于控制火蚁和白蚁的饵剂。
• NEW ANTIFIBRINOLYTIC COMPOUNDS
  申请人：PROYECTO DE BIOMEDICINA CIMA, S.L.

  公开号：US20150175618A1

  公开（公告）日：2015-06-25

  It relates to spirocyclic compounds of formula (I), or pharmaceutically or veterinary acceptable salts thereof, or any stereoisomers either of the compounds of formula (I) or of their pharmaceutically or veterinary acceptable salts, wherein A and B form a spirocyclic ring system wherein the spiro atom connecting A and B is a carbon atom and wherein A is a known 3- to 8-membered carbocyclic or heterocyclic monocyclic ring or a known 6- to 18-membered carbocyclic or heterocyclic polycyclic ring system; B is a known 4- to 7-membered carbocyclic or heterocyclic monocyclic ring; C is phenyl or a known 5- to 6-membered heteroaromatic ring; and R 1 -R 7 are as defined herein. It also relates to a process for their preparation, as well as to the intermediates used in this process; to pharmaceutical or veterinary compositions containing them, and to their use in medicine, in particular as antifibrinolytic and antihemorragic agents.

  本发明涉及公式(I)的螺环化合物，或其药学或兽医可接受的盐，或任何化合物的立体异构体(I)或其药学或兽医可接受的盐，其中A和B形成一个螺环系统，其中连接A和B的螺原子是一个碳原子，其中A是已知的3-8个成员的碳环或杂环单环或已知的6-18个成员的碳环或杂环多环系统；B是已知的4-7个成员的碳环或杂环单环；C是苯或已知的5-6个成员的杂芳环；R1-R7如本文所定义。本发明还涉及制备它们的方法，以及用于该过程中使用的中间体；包含它们的药学或兽医组合物，并将其用于医学，特别是作为抗纤溶和抗出血剂。
• HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR
  申请人：McDonald Ian A.

  公开号：US20100298330A1

  公开（公告）日：2010-11-25

  The present invention is related to the preparation and pharmaceutical In use of novel haloallylamine derivatives as SSAO/VAP-1 inhibitors having the structure of Formula I, as defined in the specification:(I). The invention also relates to methods of using invention compounds, or pharmaceutically acceptable salt or derivatives thereof, for the treatment of a variety of indications, e.g., inflammatory diseases.

  本发明涉及一种具有I式结构的新型卤代烯丙胺衍生物的制备和药物应用，所述衍生物可作为SSAO/VAP-1抑制剂，I式结构如规范中定义。本发明还涉及使用本发明化合物或其药学上可接受的盐或衍生物的方法，用于治疗多种适应症，例如炎症性疾病。