4-bromomethyl-1-methyl-2-nitro-benzene | 74101-68-1

• 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: 4-bromomethyl-1-methyl-2-nitro-benzene
• 英文别名: 4-Brommethyl-1-methyl-2-nitro-benzol；4-(Bromomethyl)-1-methyl-2-nitrobenzene
• CAS: 74101-68-1
• 化学式: C₈H₈BrNO₂
• 分子量: 230.061
• InChiKey: FWTHBBJFYJTYHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  4-bromomethyl-1-methyl-2-nitro-benzene 在 盐酸 、 sodium ethanolate 、 丙酮 、 tin(ll) chloride 作用下， 生成 2-(3-amino-4-methyl-phenyl)-3c-phenyl-acrylonitrile
  参考文献：
  名称：

  Über die Benzylumlagerung bei besetzter p-Stellung

  摘要：

  DOI：

  10.1007/bf00900970
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲醇 在 三溴化磷 作用下， 以 苯 为溶剂， 生成 4-bromomethyl-1-methyl-2-nitro-benzene
  参考文献：
  名称：

  Prasad,R.; Bhaduri,A.P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1979, vol. 18, p. 443 - 448

  摘要：

  DOI：

文献信息

• 2-imidazoline, 2-oxazoline, 2-thiazoline, and 4-imidazole derivatives of
  申请人：Syntex (U.S.A) Inc.

  公开号：US05952362A1

  公开（公告）日：1999-09-14

  The present invention concerns novel compounds represented by the Formula: ##STR1## wherein: A is R.sup.1.sub.q (R.sup.3 R.sup.60 N).sub.m (Z)(NR.sup.2).sub.n ; m and q are each 0 or 1, with the proviso that when q is 1, m is 0 and when q is 0, m is 1; Z is C.dbd.O or SO.sub.2 ; n is 1 with the proviso that, when Z is C.dbd.O, m is 1; X is --NH--, --CH.sub.2 --, or --OCH.sub.2 --; Y is 2-imidazoline, 2-oxazoline, 2-thiazoline, or 4-imidazole; R.sup.1 is H, lower alkyl, or phenyl, with the proviso that, when R.sup.1 is H, m is 1; R.sup.2, R.sup.3, R.sup.60 are each independently H, lower alkyl, or phenyl; R.sup.4, R.sup.5, R.sup.6, and R.sup.7 are each independently hydrogen, lower alkyl, --CF.sub.3, lower alkoxy, halogen, phenyl, lower alkeny, hydroxyl, lower alkylsulfonamido, or lower cycloalkyl, wherein R.sup.2 and R.sup.7 optionally may be taken together to form alkylene or alkenylene of 2 to 3 atoms in an unsubstituted or optionally substituted 5- or 6-membered ring, wherein the optional substituents on the ring are halo, lower alkyl, or --CN, with the proviso that, when R.sup.7 is hydroxyl or lower alkylsulfonamido, then X is not --NH-- when Y is 2-imidazoline. The compounds include pharmaceutically acceptable salts of the above. In the above formula A may be, for example, (R.sup.1 SO.sub.2 NR.sup.2 --), (R.sup.3 R.sup.60 NSO.sub.2 NR.sup.2 --), or (R.sup.3 R.sup.60 NCONR.sup.2 --). The invention also includes the use of the above compounds, and compositions containing them, as alpha.sub.1A/1L agonists in the treatment of various disease states such as urinary incontinence, nasal congestion, priapism, depression, anxiety, dementia, senility, Alzheimer's, deficiencies in attentiveness and cognition, and eating disorders such as obesity, bulimia, and anorexia.

  本发明涉及由以下式表示的新化合物：##STR1## 其中：A为R.sup.1_sub_q(R.sup.3 R.sup.60 N).sub.m(Z)(NR.sup.2).sub.n；m和q各为0或1，但条件是当q为1时，m为0，当q为0时，m为1；Z为C.dbd.O或SO.sub.2；n为1，但条件是当Z为C.dbd.O时，m为1；X为--NH--，--CH.sub.2--或--OCH.sub.2--；Y为2-咪唑啉，2-噁唑啉，2-硫唑啉或4-咪唑醇；R.sup.1为H，低碳烷基或苯基，但条件是当R.sup.1为H时，m为1；R.sup.2，R.sup.3，R.sup.60各自独立地为H，低碳烷基或苯基；R.sup.4，R.sup.5，R.sup.6和R.sup.7各自独立地为氢，低碳烷基，--CF.sub.3，低烷氧基，卤素，苯基，低烯基，羟基，低烷基磺酰胺基或低环烷基，其中R.sup.2和R.sup.7可选择地结合在一起形成未取代或可选择取代的5-或6-成员环的2至3个原子的烯烃或烷基，环上的可选择取代基为卤素，低碳烷基或--CN，但条件是当R.sup.7为羟基或低烷基磺酰胺基时，当Y为2-咪唑啉时，X不是--NH--。这些化合物包括上述的药用盐。在上述的式子中，A可以是(R.sup.1 SO.sub.2 NR.sup.2--)，(R.sup.3 R.sup.60 NSO.sub.2 NR.sup.2--)或(R.sup.3 R.sup.60 NCONR.sup.2--)。该发明还包括上述化合物的使用，以及含有它们的组合物，作为α.sub.1A/1L激动剂用于治疗各种疾病状态，如尿失禁、鼻塞、勃起异常、抑郁症、焦虑症、痴呆、老年痴呆症、阿尔茨海默氏病、注意力和认知缺陷、以及如肥胖症、暴食症和厌食症等的进食障碍。
• Malononitrile compounds and their use as pesticides
  申请人：——

  公开号：US20040138065A1

  公开（公告）日：2004-07-15

  The present invention relates to malononitrile compounds of formula 1 wherein R 1 and R 2 are the same or different and independently C 1 -C 5 (halo)alkyl, C 1 -C 5 (halo)alkyloxy, C 2 -C 5 (halo)alkenyl, C 2 -C 5 (halo)alkynyl, hydrogen, or cyano; R 3 is C 1 -C 3 haloalkyl, C 2 -C 4 haloalkenyl, or C 2 -C 4 haloalkynyl; m is an integer of 1 to 3; R 3 is halogen, cyano, nitro, C 1 -C 4 (halo)alkyl, or the like; n is an integer of 0 to 4, with the proviso that when n is 2 or more, then R 5 's are the same or different from each other; R 6 is hydrogen, halogen, cyano, nitro, C 1 -C 4 (halo)alkyl, or the like; as well as pesticide compositions containing these compounds as active ingredients. The present invention makes it possible to effectively control pests such as insect pests, acarine pests, and nematode pests.

  本发明涉及公式1的马隆腈化合物，其中R1和R2相同或不同且独立地为C1-C5（卤）烷基，C1-C5（卤）烷氧基，C2-C5（卤）烯基，C2-C5（卤）炔基，氢或氰基；R3为C1-C3卤代烷基，C2-C4卤代烯基或C2-C4卤代炔基；m为1到3的整数；R4为卤素，氰基，硝基，C1-C4（卤）烷基或类似物；n为0到4的整数，但当n为2或更多时，R5相互之间相同或不同；R6为氢，卤素，氰基，硝基，C1-C4（卤）烷基或类似物；以及含有这些化合物作为活性成分的杀虫剂组合物。本发明使得能够有效地控制昆虫害虫、螨虫和线虫害虫。
• PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME
  申请人：Suzuki Toshiaki

  公开号：US20120088765A1

  公开（公告）日：2012-04-12

  Disclosed are: a novel purine derivative, a composition thereof, a method for treating tumor using the purine derivative, and an antitumor agent using the purine derivative. Specifically disclosed is a compound represented by formula (I), or a pharmaceutically acceptable salt, solvate or hydrate thereof, or a prodrug thereof.

  本发明公开了一种新型嘌呤衍生物、其组合物、使用该嘌呤衍生物治疗肿瘤的方法以及使用该嘌呤衍生物的抗肿瘤剂。具体公开了一种由式（I）表示的化合物，或其药学上可接受的盐、溶剂或水合物，或其前药。
• Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0887346A2

  公开（公告）日：1998-12-30

  The present invention concerns novel compounds represented by the Formula: wherein: A is R1q(R3R60N)m(Z)(NR2)n; m and q are each 0 or 1, with the proviso that when q is 1, m is 0 and when q is 0, m is 1; Z is C=O or SO 2; n is 1 with the proviso that, when Z is C=O, m is 1; X is -NH-, -CH2-, or -OCH2-; Y is 2-imidazoline, 2-oxazoline, 2-thiazoline, or 4-imidazole; R 1 is H, lower alkyl, or phenyl, with the proviso that, when R1 is H, m is 1; R2, R3, R60 are each independently H, lower alkyl, or phenyl; R4, R5, R6, and R7 are each independently hydrogen, lower alkyl, - CF 3, lower alkoxy, halogen, phenyl, lower alkeny, hydroxyl, lower alkylsulfonamido, or lower cycloalkyl, wherein R2 and R7 optionally may be taken together to form alkylene or alkenylene of 2 to 3 atoms in an unsubstituted or optionally substituted 5-or 6-membered ring, wherein the optional substituents on the ring are halo, lower alkyl, or -CN, with the proviso that, when R7 is hydroxyl or lower alkylsulfonamido, then X is not -NH- when Y is 2-imidazoline. The compounds include pharmaceutically acceptable salts of the above. In the above formula A may be, for example, (R1SO2NR2-), (R3R60NSO2NR2-), or (R3R60NCONR2-). The invention also includes the use of the above compounds, and compositions containing them, as alpha 1A/1L agonists in the treatment of various disease states such as urinary incontinence, nasal congestion, priapism, depression, anxiety, dementia, senility, Alzheimer's, deficiencies in attentiveness and cognition, and eating disorders such as obesity, bulimia, and anorexia.

  本发明涉及由式表示的新型化合物： 其中A为R1q(R3R60N)m(Z)(NR2)n；m和q各自为0或1，但当q为1时，m为0，当q为0时，m为1；Z为C=O或SO 2；n为1，但当Z为C=O时，m为1；X为-NH-、-CH2-或-OCH2-；Y 是 2-咪唑啉、2-噁唑啉、2-噻唑啉或 4-咪唑；R 1 是 H、低级烷基或苯基，但当 R1 是 H 时，m 是 1；R2、R3、R60 各自独立地是 H、低级烷基或苯基；R4、R5、R6 和 R7 各自独立地为氢、低级烷基、- CF 3、低级烷氧基、卤素、苯基、低级烯基、羟基、低级烷基磺酰胺基或低级环烷基，其中 R2 和 R7 可任选地结合在一起，在未取代或任选取代的 5 或 6 元环中形成 2 至 3 个原子的亚烷基或烯基、其中环上的任选取代基为卤代、低级烷基或-CN，但当 R7 为羟基或低级烷基磺酰胺基时，当 Y 为 2-咪唑啉时，X 不是-NH-。化合物包括上述化合物的药学上可接受的盐。在上式中，A 例如可以是 (R1SO2NR2-)、(R3R60NSO2NR2-) 或 (R3R60NCONR2-)。本发明还包括上述化合物和含有它们的组合物作为α1A/1L激动剂在治疗各种疾病状态中的用途，如尿失禁、鼻塞、妄想症、抑郁症、焦虑症、痴呆症、衰老症、老年痴呆症、注意力和认知能力不足，以及饮食失调症，如肥胖症、贪食症和厌食症。
• Pyridazinone derivatives useful as glucan synthase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2586778A2

  公开（公告）日：2013-05-01

  In its many embodiments, the present invention provides -substituted pyridazinone compounds as glucan synthase inhibitors, methods of preparing such compounds, pharmaceutical including one or more of such compounds, methods of preparing pharmaceutical formulations including one or more such compounds or one or more such compounds along with other antifungal agents, and methods of treatment, prevention, inhibition, or amelioration of one or more fungal infections associated with glucan synthase using such compounds or pharmaceutical compositions.

  在其许多实施方案中，本发明提供了作为葡聚糖合成酶抑制剂的-取代哒嗪酮化合物、制备此类化合物的方法、包括一种或多种此类化合物的药物、制备包括一种或多种此类化合物或一种或多种此类化合物与其他抗真菌剂的药物制剂的方法，以及使用此类化合物或药物组合物治疗、预防、抑制或改善与葡聚糖合成酶相关的一种或多种真菌感染的方法。