3-methyl-1-m-tolyl-butan-1-one | 116530-62-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-1-m-tolyl-butan-1-one
• 英文别名: δ-Oxo-β-methyl-δ-m-tolyl-butan；3-Methyl-1-m-tolyl-butan-1-on；Isobutyl-m-tolyl-keton；3-Isovaleryl-toluol；3-Methyl-1-m-tolyl-butan-1-one；3-methyl-1-(3-methylphenyl)butan-1-one
• CAS: 116530-62-2
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: BSJKBNIBKYOWTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  异戊酸 、 间甲基苯甲酸 生成 3-methyl-1-m-tolyl-butan-1-one
  参考文献：
  名称：

  Senderens, Annales de Chimie (Cachan, France), 1913, vol. <8> 28, p. 313

  摘要：

  DOI：

文献信息

• ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20130143843A1

  公开（公告）日：2013-06-06

  The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are monoacylglycerol acyltransferase type 2 (MGAT2) inhibitors which may be used as medicaments.

  本发明提供了以下式（I）的化合物： 或其立体异构体，或其药学上可接受的盐，其中所有变量如本文所定义。这些化合物是单酰基甘油酰基转移酶2（MGAT2）抑制剂，可用作药物。
• [EN] COMPOUNDS FOR INHIBITING 1- DEOXY-D-XYLULOSE- 5 - PHOSPHATE REDUCTOISOMERASE<br/>[FR] COMPOSÉS DESTINÉS À INHIBER LA 1-DÉSOXY-D-XYLULOSE-5-PHOSPHATE RÉDUCTOISOMÉRASE
  申请人：UNIV GEORGE WASHINGTON

  公开号：WO2013006444A1

  公开（公告）日：2013-01-10

  [0082] In particular, the compound is effective to inhibit Dxr in Mycobacterium tuberculosis (Mtb). The present invention relates to compounds having general formula (I) or where X is an acidic group, such as carboxylate, phosphonate, sulfate, and tetrazole; Ar is a substituted or unsubstituted aromatic or heteroaromatic group; and n is 0, 1, 2, 3, or 4, preferably 2, 3, or 4. The compounds inhibits l-deoxy-D-xylulose-5-phosphate reductoisomerase (Dxr), particularly Dxr in Mycobacterium tuberculosis (Mtb).

  特别是，该化合物能有效抑制结核分枝杆菌（Mtb）中的Dxr。本发明涉及具有通式（I）的化合物，其中X是酸性基团，如羧酸盐、膦酸盐、硫酸盐和四唑基；Ar是取代或未取代的芳香或杂环芳基团；n为0、1、2、3或4，优选为2、3或4。这些化合物抑制l-脱氧-D-木糖-5-磷酸还原异构酶（Dxr），特别是结核分枝杆菌（Mtb）中的Dxr。
• PYRIMIDINE DERIVATIVES
  申请人：Kettle Jason Grant

  公开号：US20110046108A1

  公开（公告）日：2011-02-24

  The invention concerns benzamide compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R 1 , ring A, n, R 3 , and R 4 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours or other proliferative conditions which are sensitive to the inhibition of EphB4, and/or EphA2 and/or Src kinases.

  这项发明涉及Formula (I)的苯甲酰胺化合物或其药用可接受的盐，其中R1、环A、n、R3和R4如描述中所定义。本发明还涉及制备这种化合物的方法、含有它们的药物组合物以及它们在制造用作抗增殖剂的药物中的用途，用于预防或治疗对EphB4、EphA2和/或Src激酶抑制敏感的肿瘤或其他增殖病症。
• Palladium-Catalyzed Reaction of Acyliron Complexes with Aryl Halides. A Convenient Synthesis of Aromatic Ketones
  作者：Teruyoshi Koga、Shinako Makinouchi、Nobuhisa Okukado

  DOI：10.1246/cl.1988.1141

  日期：1988.7.5

  Acyliron complexes, easily prepared from disodium tetracarbonylferrate and alkyl halides, reacted with aryl iodides in the presence of a catalytic amount of Pd(PPh3)4 and a cocatalyst, ZnCl2, to give aromatic ketones in good yields. (R)-2-Methyl-1-phenyl-1-octanone was prepared starting from (S)-2-bromooctane in an excellent optical yield.

  在催化量的 Pd(PPh3)4 和助催化剂 ZnCl2 存在下，丙烯酰络合物很容易由四羰基铁酸二钠和烷基卤化物制备，与芳基碘反应，以良好的收率得到芳族酮。(R)-2-甲基-1-苯基-1-辛酮是从 (S)-2-溴辛烷以优异的光学产率制备的。
• Bicyclic Pyrrole Derivatives
  申请人：Nakahira Hiroyuki

  公开号：US20080318922A1

  公开（公告）日：2008-12-25

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkyl group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了一种通式(I)、其前药或两者的药物可接受盐作为具有高DPP-IV抑制活性并在安全性、毒性等方面得到改进的化合物：(I)其中A1和A2之间的实线和虚线表示双键(A1=A2)或类似物；A1是C(R4)或类似物；A2是氮原子或类似物；R1是氢原子、可选取代烷基或类似物；R2是氢原子、可选取代烷基或类似物；R3是氢原子、卤原子或类似物；R4是氢原子、羟基、卤原子或类似物；Y是由通式(A)或类似物表示的基团；(A)[其中m1为0、1、2或3；基团(A)可以从R6中释放或用一个或两个R6替代，它们各自独立地是卤原子或类似物。]