4-(1,1-dimethyl-pentyl)-aniline | 873412-61-4

• 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-(1,1-dimethyl-pentyl)-aniline
• 英文别名: 4-(1,1-Dimethyl-pentyl)-anilin；1-amino-4-(1,1-dimethylpentyl)benzene；4-(2-Methylhexan-2-yl)aniline
• CAS: 873412-61-4
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: UHPGPCHPULHMAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(1,1-dimethyl-pentyl)-aniline 生成 p-(1,1-Dimethyl-pentyl)-phenol
  参考文献：
  名称：

  Revision of species of the “Oligia” semicana group (Lepidoptera: Noctuidae) with descriptions of a new genus and 12 new species

  摘要：

  AbstractThe name Neoligiagen.nov. is proposed for the "Oligia" semicana (Walker) species group in North America and 12 species, N. rubirena sp.nov., N. pagosa sp.nov., N. hardwicki sp.nov、N. inermis sp.nov.、N. invenusta sp.nov.、N. albirena sp.nov.、N. lancea sp.nov.、N. elephas sp.nov.、N. lillooet sp.nov.、N. surdirena sp.nov.、N. canadensis sp.nov.和 N. atlantica sp.nov.等 12 个种。Hadenella laevigata Smith 与 Hadena tonsa Grote 同源（同义恢复），Hadena hausta Grote 与 Miana semicana Walker 同源（同义恢复）。所有物种的成体以及已知的雄性和雌性生殖器均附有插图。

  DOI：

  10.4039/ent134157-2
• 作为产物：
  描述：

  1-(1,1-dimethyl-pentyl)-4-nitro-benzene 生成 4-(1,1-dimethyl-pentyl)-aniline
  参考文献：
  名称：

  Revision of species of the “Oligia” semicana group (Lepidoptera: Noctuidae) with descriptions of a new genus and 12 new species

  摘要：

  AbstractThe name Neoligiagen.nov. is proposed for the "Oligia" semicana (Walker) species group in North America and 12 species, N. rubirena sp.nov., N. pagosa sp.nov., N. hardwicki sp.nov、N. inermis sp.nov.、N. invenusta sp.nov.、N. albirena sp.nov.、N. lancea sp.nov.、N. elephas sp.nov.、N. lillooet sp.nov.、N. surdirena sp.nov.、N. canadensis sp.nov.和 N. atlantica sp.nov.等 12 个种。Hadenella laevigata Smith 与 Hadena tonsa Grote 同源（同义恢复），Hadena hausta Grote 与 Miana semicana Walker 同源（同义恢复）。所有物种的成体以及已知的雄性和雌性生殖器均附有插图。

  DOI：

  10.4039/ent134157-2

文献信息

• N-phenyl amide compounds
  申请人：Lilly Industries Limited

  公开号：US04892963A1

  公开（公告）日：1990-01-09

  Compounds of the following formula have pharmaceutical properties: ##STR1## in which X is R.sup.1 (HO)C.dbd.C(CN)--, R.sup.1 (CO)--CH(CN)-- or ##STR2## R.sup.1 and R.sup.2 are each hydrogen or C.sub.1-6 alkyl, R.sup.3, R.sup.4 and R.sup.5 are each hydrogen, hydroxy, halogen, nitro, cyano, carboxy, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, C.sub.1-4 alkylthio, halo-substituted C.sub.1-4 alkyl, halo-substituted C.sub.1-4 alkoxy, halo-substituted C.sub.1-4 alkylthio, C.sub.2-5 alkoxycarbonyl, optionally substituted phenyl, optionally substituted phenoxy, R'R"N- where R' and R" are each hydrogen or C.sub.1-4 alkyl R'"CONH-- where R'" is C.sub.1-4 alkyl, R.sup.6, R.sup.7 and R.sup.8 are each C.sub.1-6 alkyl, halo-substituted C.sub.1-6 alkyl or optionally substituted phenyl, or R.sup.6 and R.sup.7, together with the carbon atom to which they are attached, form a cycloalkyl group containing 3 to 7 carbon atoms, or R.sup.6, R.sup.7 and R.sup.8 together with the carbon atom to which they are attached, form a bicycloalkyl group containing 4 to 9 carbon atoms; and salts thereof.

  以下化合物具有药用性质的公式：##STR1## 其中X为R.sup.1(HO)C.dbd.C(CN)--，R.sup.1(CO)--CH(CN)--或##STR2## R.sup.1和R.sup.2分别为氢或C.sub.1-6烷基，R.sup.3、R.sup.4和R.sup.5分别为氢、羟基、卤素、硝基、氰基、羧基、C.sub.1-4烷基、C.sub.1-4烷氧基、C.sub.1-4烷硫基、卤素取代的C.sub.1-4烷基、卤素取代的C.sub.1-4烷氧基、卤素取代的C.sub.1-4烷硫基、C.sub.2-5烷氧羰基、可选择取代的苯基、可选择取代的苯氧基、R'R"N-其中R'和R"分别为氢或C.sub.1-4烷基，R'"CONH--其中R'"为C.sub.1-4烷基，R.sup.6、R.sup.7和R.sup.8分别为C.sub.1-6烷基、卤素取代的C.sub.1-6烷基或可选择取代的苯基，或者R.sup.6和R.sup.7与它们连接的碳原子一起形成含有3到7个碳原子的环烷基，或者R.sup.6、R.sup.7和R.sup.8与连接它们的碳原子一起形成含有4到9个碳原子的双环烷基；以及其盐。
• Therapeutic agents useful for treating pain
  申请人：Kyle J. Donald

  公开号：US20070027159A1

  公开（公告）日：2007-02-01

  A compound of formula: wherein Ar 1 , Ar 2 , V, X, R 3 , R 4 , and m are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Cyclo(hetero)alkenyl Compound”); compositions comprising an effective amount of a Cyclo(hetero)alkenyl Compound; and methods for treating or preventing, e.g., pain, UI, an ulcer, IBD, or IBS in an animal, comprising administering to an animal in need thereof an effective amount of a Cyclo(hetero)alkenyl Compound are disclosed herein.

  本文披露了一种化合物，其分子式为：其中Ar1、Ar2、V、X、R3、R4和m如本文所述或其药学上可接受的盐（“环（杂）烯基化合物”）；包含有效量的环（杂）烯基化合物的组合物；以及治疗或预防动物的疼痛、尿失禁、溃疡、炎症性肠病或肠易激综合征等疾病的方法，包括向需要的动物中投与有效量的环（杂）烯基化合物。
• THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN
  申请人：Kyle Donald J.

  公开号：US20110152324A1

  公开（公告）日：2011-06-23

  A compound of formula: wherein Ar 1 , Ar 2 , V, X, R 3 , R 4 , and m are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Cyclo(hetero)alkenyl Compound”); compositions comprising an effective amount of a Cyclo(hetero)alkenyl Compound; and methods for treating or preventing, e.g., pain, UI, an ulcer, IBD, or IBS in an animal, comprising administering to an animal in need thereof an effective amount of a Cyclo(hetero)alkenyl Compound are disclosed herein.

  本文披露了一种化合物，其化学式为：其中Ar1，Ar2，V，X，R3，R4和m如本文所述，或其药物可接受的盐（“环（杂）烯基化合物”）；包含有效量的环（杂）烯基化合物的组合物；以及治疗或预防动物的疼痛、尿失禁、溃疡、炎症性肠病或肠易激综合征等疾病的方法，包括向需要治疗的动物投与有效量的环（杂）烯基化合物。
• Therapeutic Agents Useful for Treating Pain
  申请人：Kyle Donald J.

  公开号：US20130012541A1

  公开（公告）日：2013-01-10

  A compound of formula: wherein Ar 1 , Ar 2 , V, X, R 3 , R 4 , and m are as disclosed herein or a pharmaceutically acceptable salt thereof (a “Cyclo(hetero)alkenyl Compound”); compositions comprising an effective amount of a Cyclo(hetero)alkenyl Compound; and methods for treating or preventing, e.g., pain, UI, an ulcer, IBD, or IBS in an animal, comprising administering to an animal in need thereof an effective amount of a Cyclo(hetero)alkenyl Compound are disclosed herein.

  本文介绍了一种化合物，其化学式为：其中Ar1，Ar2，V，X，R3，R4和m如本文所述或其药学上可接受的盐（“环（杂）烯基化合物”）; 包含有效量的环（杂）烯基化合物的组合物; 以及治疗或预防动物的疼痛，UI，溃疡，IBD或IBS的方法，包括向需要的动物施用有效量的环（杂）烯基化合物。
• Condensation of the Tertiary Heptyl Alcohols with Phenol in the Presence of Aluminum Chloride
  作者：R. C. Huston、G. W. Hedrick

  DOI：10.1021/ja01289a061

  日期：1937.10