β-chloro-isobutyric acid anilide | 81785-21-9

• 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: β-chloro-isobutyric acid anilide
• 英文别名: β-Chlor-isobuttersaeure-anilid；4-chloroisobutyrylanilide；3-chloro-2-methyl-N-phenylpropanamide
• CAS: 81785-21-9
• 化学式: C₁₀H₁₂ClNO
• 分子量: 197.664
• InChiKey: OIICPGKOMCYGLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  β-chloro-isobutyric acid anilide 、 5-(吡啶-4-基)-1,3,4-噻二唑-2-硫醇 在 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 以62%的产率得到3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-ylthio)-2-methyl-N-phenylpropanamide
  参考文献：
  名称：

  Linked pyridinyl-thiadiazoles: Design and synthesis as potential candidate for treatment of XDR and MDR tuberculosis

  摘要：

  Multi-drug resistant (MDR) and extremely drug resistant (XDR) Mycobacterium tuberculosis strains have turned tuberculosis (TB) as "on the verge of eradication" to "most life threatening" disease. Furthermore, synergy with HIV and other immunosuppressive disease have strengthened its prevalence. This research reports small molecule anti-infectives which are specifically potent against several strains and isolates of TB. The hit compound 7f has also proved to be active against almost 25 clinical isolates comparable to marketed anti-TB agents. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.07.039
• 作为产物：
  描述：

  2-methyl-3-chloropropionyl chloride 、 苯胺 生成 β-chloro-isobutyric acid anilide
  参考文献：
  名称：

  Kharasch; Brown, Journal of the American Chemical Society, 1940, vol. 62, p. 928

  摘要：

  DOI：

文献信息

• Novel thioimidate and amidine insecticides
  申请人：ICI AMERICAS INC.

  公开号：EP0317266A2

  公开（公告）日：1989-05-24

  Insecticidal compounds having the formula in which R is an optionally substituted aryl moiety; R₂ is an optionally substituted alkyl, cycloalkyl or alkenyl moiety, X is sulfur, amino or C₁-C₄ monoalkylamino; and R₃ is: (a) an optionally substituted 3-phenoxyphenalkyl, 3-phenoxypyridylalkyl or 3-(4-pyridyloxy)phenalkyl moiety; (b) pentafluorobenzyl; or (c) 2-methyl-3-phenylbenzyl.

  具有以下式子的杀虫化合物 其中 R 是任选取代的芳基；R₂ 是任选取代的烷基、环烷基或烯基；X 是硫、氨基或 C₁-C₄ 单烷基氨基；以及 R₃ 是：(a) 任选取代的 3-苯氧基苯烷基、3-苯氧基吡啶烷基或 3-(4-吡啶氧基)苯烷基； (b) 五氟苄基；或 (c) 2-甲基-3-苯基苄基。
• US4931448A
  申请人：——

  公开号：US4931448A

  公开（公告）日：1990-06-05
• US4992453A
  申请人：——

  公开号：US4992453A

  公开（公告）日：1991-02-12
• Kharasch; Brown, Journal of the American Chemical Society, 1940, vol. 62, p. 928
  作者：Kharasch、Brown

  DOI：——

  日期：——
• Linked pyridinyl-thiadiazoles: Design and synthesis as potential candidate for treatment of XDR and MDR tuberculosis
  作者：Niranjan S. Mahajan、S.C. Dhawale

  DOI：10.1016/j.ejmech.2015.07.039

  日期：2015.9

  Multi-drug resistant (MDR) and extremely drug resistant (XDR) Mycobacterium tuberculosis strains have turned tuberculosis (TB) as "on the verge of eradication" to "most life threatening" disease. Furthermore, synergy with HIV and other immunosuppressive disease have strengthened its prevalence. This research reports small molecule anti-infectives which are specifically potent against several strains and isolates of TB. The hit compound 7f has also proved to be active against almost 25 clinical isolates comparable to marketed anti-TB agents. (C) 2015 Elsevier Masson SAS. All rights reserved.