5-(2-chlorophenyl)pentan-1-ol | 14469-87-5

• 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: 5-(2-chlorophenyl)pentan-1-ol
• 英文别名: 1-Hydroxy-5-<2-chlorphenyl>-pentan；5-<2-Chlorphenyl>-pentan-1-ol；5--pentan-1-ol；5-(o-Chlorphenyl)-pentan-1-ol
• CAS: 14469-87-5
• 化学式: C₁₁H₁₅ClO
• 分子量: 198.692
• InChiKey: FIZLZRXTICPXDD-UHFFFAOYSA-N

物化性质

• 沸点：
  279.9±15.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-(2-chlorophenyl)pentan-1-ol 在 N-甲基咪唑 、 2,2'-联吡啶 、 2,2,6,6-四甲基哌啶氧化物 、 tetrakis(acetonitrile)copper(I) hexafluorophosphate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以98%的产率得到5-(2-chlorophenyl)pentanal
  参考文献：
  名称：

  Enantioselective Carbocycle Formation through Intramolecular Pd-Catalyzed Allyl–Aryl Cross-Coupling

  摘要：

  Aryl electrophiles containing tethered allylboronate units undergo efficient intramolecular coupling in the presence of a chiral palladium catalyst to give enantioenriched carbocyclic products. The reaction is found to be quite general, affording 5, 6, and 7-membered carbocyclic products as single regioisomers and with moderate enantioselectivities. Examination of differential coupling partners points to rapid allyl-equilibration as a key stereodefining feature.

  DOI：

  10.1021/ol5019163
• 作为产物：
  描述：

  1-氯-2-碘苯 在 platinum(IV) oxide 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 5-(2-chlorophenyl)pentan-1-ol
  参考文献：
  名称：

  Enantioselective Carbocycle Formation through Intramolecular Pd-Catalyzed Allyl–Aryl Cross-Coupling

  摘要：

  Aryl electrophiles containing tethered allylboronate units undergo efficient intramolecular coupling in the presence of a chiral palladium catalyst to give enantioenriched carbocyclic products. The reaction is found to be quite general, affording 5, 6, and 7-membered carbocyclic products as single regioisomers and with moderate enantioselectivities. Examination of differential coupling partners points to rapid allyl-equilibration as a key stereodefining feature.

  DOI：

  10.1021/ol5019163

文献信息

• Migration of double bonds in end-blocked linear olefinic compounds
  作者：A. J. Hubert

  DOI：10.1039/j39670000235

  日期：——

  The preparation and the isomerisation of some 1,12-diphenyldodec-6-enes are described. The migration of the double bond in the presence of triethylborane gives an equilibrium between all the positional isomers. The isomer with the double bond conjugated with the aromatic nucleus is preferred but substantial quantities of the other isomers are also present at equilibrium. The concentration of the “conjugated

  描述了一些1,12-二苯基十二烷基-6-烯的制备和异构化。在三乙基硼烷的存在下双键的迁移使所有位置异构体之间保持平衡。具有与芳核共轭的双键的异构体是优选的，但是在平衡时也存在大量的其​​他异构体。“共轭异构体”的浓度对位阻非常敏感，但似乎与取代基对芳环的诱导作用无关。
• Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use
  申请人：——

  公开号：US20030212116A1

  公开（公告）日：2003-11-13

  A heterocyclic imino compound of the formula (1) and an agrochemically acceptable salt thereof; and an agricultural chemical, fungicide and insecticide containing at least one member selected from the group of such compounds as an active ingredient: 1 wherein G is 2 or the like, A is a 3- to 13-membered, mono-, di- or tri-cyclic ring which contains at least one hetero atom selected from among oxygen atoms, sulfur atoms and nitrogen atoms, which is composed of from 3 to 13 atoms arbitrarily selected from among carbon atoms, oxygen atoms, sulfur atoms and nitrogen atoms and which may be substituted by from 1 to 13 Ys, provided that when A is a quinolone ring, the nitrogen atom in the quinolone ring is present at the &agr;-position to the imino bond, Z is —OR 1 or the like, B is —CH 2 — or the like, Y is Y′—D—(CH 2 ) p — or the like, D is a single bond or the like, X is halogen or the like, and R 1 is a hydrogen atom, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl or the like.

  一种具有以下化学式（1）的杂环亚胺化合物及其农药可接受的盐；以及至少选择自这类化合物组中的一种作为活性成分的农用化学品、杀菌剂和杀虫剂：其中G为2或类似物，A为3至13个成员的单环、双环或三环环，其中至少包含一种从氧原子、硫原子和氮原子中选择的杂原子，由3至13个从碳原子、氧原子、硫原子和氮原子中任意选择的原子组成，并且可能被1至13个Y取代，前提是当A为喹啉环时，喹啉环中的氮原子位于亚胺键的α-位置，Z为—OR1或类似物，B为—CH2—或类似物，Y为Y′—D—（CH2）p—或类似物，D为单键或类似物，X为卤素或类似物，R1为氢原子、C1-C6烷基、C1-C6卤代烷基或类似物。
• Novel highly potent OXE receptor antagonists with prolonged plasma lifetimes that are converted to active metabolites in vivo in monkeys
  作者：Qiuji Ye、Shishir Chourey、Chintam Nagendra Reddy、Rui Wang、Chantal Cossette、Sylvie Gravel、Irina Slobodchikova、Dajana Vuckovic、Joshua Rokach、William S. Powell

  DOI：10.1111/bph.14874

  日期：2020.1

  had a half-life in plasma of over 7 hr, considerably longer than any of the other OXE analogues tested. A major hydroxylated metabolite, with a potency close to that of its precursor, was identified in plasma. CONCLUSION AND IMPLICATIONS Because of its highly potent antagonist activity and its long lifetime in vivo, S-Y048 may be a useful anti-inflammatory agent for the treatment of eosinophilic diseases

  背景和目的 5-脂氧合酶产物 5-oxo-6E,8Z,11Z,14Z-二十碳四烯酸 (5-oxo-ETE) 通过 OXE 受体发挥作用，是一种有效的嗜酸性粒细胞趋化剂，可能是嗜酸性粒细胞中重要的促炎介质。哮喘等疾病。我们之前鉴定了一系列基于吲哚的 OXE 受体拮抗剂，口服后会迅速出现在血液中，但寿命有限。本研究的目的是提高这些化合物的效力和血浆半衰期，从而确定未来在猴子中进行临床前研究的最佳候选化合物，因为啮齿动物没有 OXE 受体直系同源物。实验方法我们合成了一系列取代的苯烷基吲哚，并将它们的拮抗剂效力、药代动力学和代谢与我们早期的化合物进行了比较。还研究了它们的一些代谢物的效力。主要结果 在测试的化合物中，间氯苯基化合物的 S-对映体 (S-Y048) 是最有效的，其抑制 5-oxo-ETE 诱导的人中性粒细胞钙动员的 pIC50 约为 10.8。当给食蟹猴口服给药时，S-Y048 迅
• HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1243580A1

  公开（公告）日：2002-09-25

  A heterocyclic imino compound of the formula (1) and an agrochemically acceptable salt thereof; and an agricultural chemical, fungicide and insecticide containing at least one member selected from the group of such compounds as an active ingredient: wherein G is or the like, A is a 3- to 13-membered, mono-, di- or tri-cyclic ring which contains at least one hetero atom selected from among oxygen atoms, sulfur atoms and nitrogen atoms, which is composed of from 3 to 13 atoms arbitrarily selected from among carbon atoms, oxygen atoms, sulfur atoms and nitrogen atoms and which may be substituted by from 1 to 13 Ys, provided that when A is a quinolone ring, the nitrogen atom in the quinolone ring is present at the α-position to the imino bond,    Z is -OR1 or the like,    B is -CH2- or the like,    Y is Y'-D-(CH2)p- or the like,    D is a single bond or the like,    X is halogen or the like, and    R1 is a hydrogen atom, C1-C6 alkyl, C1-C6 haloalkyl or the like.

  式（1）的杂环亚氨基化合物及其农用化学品可接受的盐；以及含有至少一种选自此类化合物组的成员作为活性成分的农用化学品、杀真菌剂和杀虫剂： 其中 G 是 或类似物，A 是 3 至 13 个元的单环、二环或三环，其中含有至少一个选自氧原子、硫原子和氮原子的杂原子，它由 3 至 13 个任意选自碳原子、氧原子、硫原子和氮原子的原子组成，可被 1 至 13 个 Y 取代，条件是当 A 是喹啉酮环时，喹啉酮环中的氮原子存在于亚胺键的α位、 Z 是-OR1 或类似物、 B 是-CH2-或类似物、 Y 是 Y'-D-(CH2)p- 或类似物、 D 是单键或类似物、 X 是卤素或类似物，以及 R1 是氢原子、C1-C6 烷基、C1-C6 卤代烷基或类似物。
• SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN
  申请人：Bio-Pharm Solutions Co., Ltd.

  公开号：EP3443959A1

  公开（公告）日：2019-02-20

  The present invention relates to sulfamate derivative compounds and a composition for treating and/or alleviating pain containing the sulfamate derivative compounds or a pharmaceutically acceptable salt thereof as an active ingredient. More specifically, the present invention relates to a pharmaceutical composition for treating or alleviating pain containing a sulfamate derivative compound and/or a pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or alleviation of pain comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or alleviation of pain; and a use of the sulfamate derivative compound or the pharmaceutically acceptable salt thereof in treating and/or alleviating pain, are provided.

  本发明涉及氨基磺酸盐衍生物化合物和一种治疗和/或减轻疼痛的组合物，其中含有氨基磺酸盐衍生物化合物或其药学上可接受的盐作为活性成分。更具体地说，本发明涉及一种治疗或减轻疼痛的药物组合物，其中含有一种氨基磺酸盐衍生物化合物和/或其药学上可接受的盐作为活性成分。此外，本发明还涉及一种治疗或减轻疼痛的方法，该方法包括向需要治疗或减轻疼痛的受试者施用药学有效量的氨基磺酸盐衍生物化合物；以及提供氨基磺酸盐衍生物化合物或其药学上可接受的盐在治疗和/或减轻疼痛中的用途。