2-乙基-1-甲基-3-硝基-苯 | 102879-53-8

• 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: 2-乙基-1-甲基-3-硝基-苯
• 英文名称: 2-ethyl-1-methyl-3-nitro-benzene
• 英文别名: 2-Aethyl-1-methyl-3-nitro-benzol；2-Ethyl-1-methyl-3-nitrobenzene
• CAS: 102879-53-8
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: ZDXWECBDVNIXNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙基-1-甲基-3-硝基-苯 在 sodium hydroxide 、 sodium dithionite 作用下， 生成 2-ethyl-3-methylaniline
  参考文献：
  名称：

  Dollinsky et al., Journal of the Association of Official Agricultural Chemists, 1959, vol. 42, p. 709,716

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙基甲苯 在 硫酸 、 硝酸 作用下， 生成 2-乙基-1-甲基-3-硝基-苯 、 1-乙基-2-甲基-3-硝基-苯
  参考文献：
  名称：

  Dollinsky et al., Journal of the Association of Official Agricultural Chemists, 1959, vol. 42, p. 709,716

  摘要：

  DOI：

文献信息

• METHOD FOR PRODUCING 2-(HALOGENOMETHYL)-3-METHYLNITROBENZENE
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160332956A1

  公开（公告）日：2016-11-17

  Position-1 halogen can be selectively reduced by reacting a compound represented by formula (3): [wherein X represents a chlorine atom, a bromine atom, or an iodine atom] with halogen in the presence of a heterogeneous transition metal catalyst to produce 2-(halogenomethyl)-1-methyl-3-nitrobenzene represented by formula (1): [wherein the symbol is as defined above].

  位置1的卤素可以通过在存在异相过渡金属催化剂的情况下，将由式（3）表示的化合物与卤素反应，选择性地还原。从而产生由式（1）表示的2-(卤代甲基)-1-甲基-3-硝基苯：[其中符号如上所定义]。
• PKM2 MODULATORS AND METHODS FOR THEIR USE
  申请人：TOLERO PHARMACEUTICALS, INC.

  公开号：US20150344436A1

  公开（公告）日：2015-12-03

  Compounds having activity as PKM2 activators are disclosed. The compounds have the following structure (I): including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof, wherein R1, R2, R3, R4, R5 and R6 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本发明揭示了具有PKM2激活剂活性的化合物。该化合物具有以下结构（I）：包括立体异构体、互变异构体、药学上可接受的盐和其前药，其中R1、R2、R3、R4、R5和R6如本文所定义。本发明还揭示了与制备和使用这种化合物相关的方法，以及包含这种化合物的制药组合物。
• HERBIZID WIRKSAME 3-PHENYLISOXAZOLINDERIVATE
  申请人：Bayer CropScience AG

  公开号：EP2900645A1

  公开（公告）日：2015-08-05
• PIPERIDINE/PIPERAZINE DERIVATIVES
  申请人：Bongartz Jean-Pierre Andre Marc

  公开号：US20100210618A1

  公开（公告）日：2010-08-19

  The invention relates to a DGAT inhibitor of formula (I), including any stereochemically isomeric form thereof, wherein A represents CH or N; the dotted line represents an optional bond in case A represents a carbon atom; X represents —O—C(═O)—; —C(═O)—C(═O)—; —NR X —C(═O)—; —Z—C(═O)—; —Z—NR X —C(═O)—; —C(═O)—Z—; —NR X —C(═O)—Z—; —C(═S)—; —NR X —C(═S)—; —Z—C(═S)—; —Z—NR X —C(═S)—; —C(═S)—Z—; —NR X —C(═S)—Z—; Z represents a bivalent radical selected from C 1-6 alkanediyl, C 2-6 alkenediyl or C 2-6 alkynediyl; wherein each of said C 1-6 alkanediyl, C 2-6 alkenediyl or C 2-6 alkynediyl may optionally be substituted; and wherein two hydrogen atoms attached to the same carbon atom in C 1-6 alkanediyl may optionally be replaced by C 1-6 alkanediyl; Y represents —C(═O)—NR X — or —NR X —C(═O)—; R 1 represents adamantanyl, C 3-6 cycloalkyl; aryl 1 or Het 1 ; R 2 represents C 3-6 cycloalkyl, phenyl, naphtalenyl, 2,3-dihydro-1,4-benzodioxinyl, 1,3-benzodioxolyl, 2,3-dihydrobenzofuranyl or a 6-membered aromatic heterocycle containing 1 or 2 N atoms, wherein said C 3-6 Cycloalkyl, phenyl, naphtalenyl, 2,3-dihydro-1,4-benzodioxinyl, 1,3-benzodioxolyl or heterocycle may optionally be substituted; R 7 represents hydrogen, halo, C 1-4 alkyl, C 1-4 alkyl substituted with hydroxyl; provided that the following compounds (II), (III) are excluded; a N-oxide thereof, a pharmaceutically acceptable salt thereof or a solvate thereof. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine, as a DGAT inhibitor, of said compounds.
• US9394257B2
  申请人：——

  公开号：US9394257B2

  公开（公告）日：2016-07-19