1-(2-amino-5-chlorophenyl)-2,2-dimethyl-1-propanone | 581059-96-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-amino-5-chlorophenyl)-2,2-dimethyl-1-propanone
• 英文别名: 1-(2-amino-5-chlorophenyl)-2,2-dimethylpropan-1-one；1-(2-amino-5-chlorophenyl)2,2-dimethylpropan-1-one
• CAS: 581059-96-3
• 化学式: C₁₁H₁₄ClNO
• 分子量: 211.691
• InChiKey: SWXWMNADXVPURZ-UHFFFAOYSA-N

物化性质

• 熔点：
  65-67 °C(Solv: hexane (110-54-3))
• 沸点：
  329.6±27.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-amino-5-chlorophenyl)-2,2-dimethyl-1-propanone 在 盐酸 、 titanium(IV) tetraethanolate 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 正己烷 为溶剂， 反应 16.17h， 生成 (1S)-1-(2-amino-5-chlorophenyl)-2,2-dimethyl-1-propanamine
  参考文献：
  名称：

  Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines

  摘要：

  Chiral, nonracemic o-aminobenzylamines were prepared in a highly diastereoselective reduction of atropisomeric N-tert-butanesulfinylketimines. The ortho-substituent ensures the distinct reactivity of atropisomers 4d-f. The free energy of activation for atropisomerization of sulfinylimines 4d-f in THF-d(8) was determined by NMR methods to range from 70.8 to 97.9 kJ/mol.

  DOI：

  10.1021/jo1025767
• 作为产物：
  描述：

  4'-氯代新戊酰苯胺 在 盐酸 、 正丁基锂 、 四甲基乙二胺 、 水 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 16.0h， 生成 1-(2-amino-5-chlorophenyl)-2,2-dimethyl-1-propanone
  参考文献：
  名称：

  Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines

  摘要：

  Chiral, nonracemic o-aminobenzylamines were prepared in a highly diastereoselective reduction of atropisomeric N-tert-butanesulfinylketimines. The ortho-substituent ensures the distinct reactivity of atropisomers 4d-f. The free energy of activation for atropisomerization of sulfinylimines 4d-f in THF-d(8) was determined by NMR methods to range from 70.8 to 97.9 kJ/mol.

  DOI：

  10.1021/jo1025767

文献信息

• Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives
  申请人：Meyer Gerhard Adam

  公开号：US20060063841A1

  公开（公告）日：2006-03-23

  Novel trifluoromethanesulfonanilide oxime ether compounds useful for controlling endo and/or ectoparasites in the environment are provided, together with methods of making the same, and methods of using the inventive compounds to treat parasite infestations in vivo or ex vivo.

  提供了一种新型三氟甲磺酰苯胺肟醚化合物，可用于控制环境中的内寄生虫和/或外寄生虫，同时提供了制备这些化合物的方法，以及利用这些创新化合物治疗体内或体外寄生虫感染的方法。
• 2-Arylindoles: A New Entry to Transition Metal-free Synthesis of 2-Aminobenzophenones
  作者：Jin Yu、Hye Ran Moon、Beom Kyu Min、Jae Nyoung Kim

  DOI：10.1002/bkcs.10796

  日期：2016.6

  Various 2‐aminobenzophenones were synthesized from readily available 2‐arylindoles in DMSO under O2 balloon atmosphere. The synthesis was carried out without the aid of a transition metal catalyst or moisture‐sensitive organometallic reagents from 2‐arylindoles.

  在O 2气球气氛下，在DMSO中由易于获得的2-芳基吲哚合成了各种2-氨基二苯甲酮。合成过程无需借助过渡金属催化剂或对湿气敏感的2-芳基吲哚有机金属试剂进行。
• CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES
  申请人：Meyer Adam Gerhard

  公开号：US20080262048A1

  公开（公告）日：2008-10-23

  Novel trifluoromethanesulfonanilide oxime ether compounds useful for controlling endo and/or ectoparasites in the environment are provided, together with methods of making the same, and methods of using the inventive compounds to treat parasite infestations in vivo or ex vivo.

  提供了一种新型三氟甲磺酰苯胺肟醚化合物，可用于控制环境中的内寄生虫和/或外寄生虫，以及制备该化合物的方法和使用该创新化合物治疗体内或体外寄生虫感染的方法。
• NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Yoshida Tomohiro

  公开号：US20100228026A1

  公开（公告）日：2010-09-09

  The invention provides a sulfonyl malonamide derivative, or a pharmacologically acceptable salt thereof or a solvate thereof, that has therapeutic and/or preventive effect(s) on various diseases due to its agonist action at AT 2 receptor, and is useful as a pharmaceutical agent for the treatment and/or prevention of diseases involving the renin-angiotensin-aldosterone system (RAAS).

  该发明提供了一种磺酰基马隆酰胺衍生物，或其药理学上可接受的盐或溶剂，由于其在AT2受体上的激动剂作用，对各种疾病具有治疗和/或预防作用，并且作为用于治疗和/或预防涉及肾素-血管紧张素-醛固酮系统（RAAS）疾病的药物剂形具有用处。
• MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS
  申请人：NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER

  公开号：US20170014419A1

  公开（公告）日：2017-01-19

  Provided are a novel medicament for suppressing or preventing the metastasis of a malignant tumor such as carcinoma, a novel treatment or prevention method for suppressing or preventing the metastasis of a malignant tumor, etc. The medicament comprises a non-peptidic angiotensin type 2 receptor agonist as an active ingredient. In the medicament, the non-peptidic angiotensin type 2 receptor agonist may be, for example, a sulfonyl malonamide compound. The medicament may be a medicament for use in combination with an anticancer agent and/or an antitumor agent.