(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl chloride | 16233-41-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (5,6,7,8-tetrahydronaphthalen-2-yl)acetyl chloride
• 英文别名: (5,6,7,8-tetrahydro-[2]naphthyl)-acetyl chloride；5,6,7,8-tetrahydro-2-naphtylacetyl chloride；2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl chloride
• CAS: 16233-41-3
• 化学式: C₁₂H₁₃ClO
• 分子量: 208.688
• InChiKey: ZXQCITDOJLPNAI-UHFFFAOYSA-N

物化性质

• 沸点：
  317.6±21.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• 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

• 作为反应物：
  描述：

  (5,6,7,8-tetrahydronaphthalen-2-yl)acetyl chloride 在 乙酸酐 作用下， 生成 1,3-bis-(3-methyl-benzothiazol-2-yl)-1,3-bis-(5,6,7,8-tetrahydro-[2]naphthyl)-trimethinium ; perchlorate
  参考文献：
  名称：

  Kiprianow; Uschenko, Zhurnal Obshchei Khimii, 1950, vol. 20, p. 134,141; engl. Ausg. S. 139, 144

  摘要：

  DOI：
• 作为产物：
  描述：

  5,6,7,8-四氢萘-2-乙酸 在 氯化亚砜 作用下， 生成 (5,6,7,8-tetrahydronaphthalen-2-yl)acetyl chloride
  参考文献：
  名称：

  Kiprianow; Uschenko, Zhurnal Obshchei Khimii, 1950, vol. 20, p. 134,141; engl. Ausg. S. 139, 144

  摘要：

  DOI：

文献信息

• Amide compounds and use thereof
  申请人：——

  公开号：US20030195354A1

  公开（公告）日：2003-10-16

  An amide compound given by formula [I]: 1 wherein R 1 represents a C1-C10 haloalkyl and so on, R2 represents a hydrogen and so on, X represents an oxygen or sulfur, Y represents an oxygen or sulfur, Ar represents an aromatic group, A represents an ethylene and so on, and Z 1 and Z 2 represent alkyl, alkoxy and so on, and a fungicide containing it as an active ingredient.

  由公式[I]给出的酰胺化合物，其中R1代表C1-C10卤代烷基等，R2代表氢等，X代表氧或硫，Y代表氧或硫，Ar代表芳香族基团，A代表乙烯等，Z1和Z2代表烷基、烷氧基等，以及一种含有它作为活性成分的杀真菌剂。
• Novel piperidine derivatives
  申请人：Dr. Lo. Zambeletti S.p.A.

  公开号：US04879300A1

  公开（公告）日：1989-11-07

  A compound, or a solvate or salt thereof, of formula I: ##STR1## in which: R.CO-- is an acyl group containing a substituted or unsubstituted carbocyclic aromatic or heterocyclic aromatic group; R.sub.1 and R.sub.2 are independently hydrogen, C.sub.1-6 alkyl, C.sub.1-6 alkenyl, C.sub.1-6 cycloalkyl or C.sub.1-12 cycloalkylalkyl or together form a C.sub.2-6 polymethylene or C.sub.2-6 alkenylene group, optionally substituted with a hetero-atom, provided that R.sub.1 and R.sub.2 are not simultaneously hydrogen; Rx is C.sub.1-6 alkyl or phenyl, or Rx together with R.sub.1 form a --(CH.sub.2).sub.3 -- or --(CH.sub.2).sub.4 -- group, is useful for the treatment of pain.

  化合物I的结构，或其溶剂化合物或盐，如下所示：##STR1##其中：R.CO--是一个酰基，含有一个经取代或未取代的碳环芳香族或杂环芳香族基团；R.sub.1和R.sub.2分别是氢、C.sub.1-6烷基、C.sub.1-6烯基、C.sub.1-6环烷基或C.sub.1-12环烷基烷基，或者一起形成一个C.sub.2-6聚亚甲基或C.sub.2-6烯亚甲基基团，可选地取代有一个杂原子，但要求R.sub.1和R.sub.2不能同时是氢；Rx是C.sub.1-6烷基或苯基，或者Rx与R.sub.1一起形成一个--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--基团，用于治疗疼痛。
• AMIDE COMPOUNDS AND USE THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1295868A1

  公开（公告）日：2003-03-26

  An amide compound given by formula [I]: wherein R1 represents a C1-C10 haloalkyl and so on, R2 represents a hydrogen and so on, X represents an oxygen or sulfur, Y represents an oxygen or sulfur, Ar represents an aromatic group, A represents an ethylene and so on, and Z1 and Z2 represent alkyl, alkoxy and so on, and a fungicide containing it as an active ingredient.

  由式[I]给出的酰胺化合物： 其中 R1 代表 C1-C10 卤代烷基等，R2 代表氢等，X 代表氧或硫，Y 代表氧或硫，Ar 代表芳香基团，A 代表乙烯等，Z1 和 Z2 代表烷基、烷氧基等、 以及含有它作为活性成分的杀真菌剂。
• Selective .kappa.-Opioid Agonists: Synthesis and Structure-Activity Relationships of Piperidines Incorporating an Oxo-Containing Acyl Group
  作者：Giuseppe Giardina、Geoffrey D. Clarke、Giulio Dondio、Giuseppe Petrone、Massimo Sbacchi、Vittorio Vecchietti

  DOI：10.1021/jm00047a006

  日期：1994.10

  This study describes the synthesis and the structure-activity relationships (SARs) of the (S)-(-)-enantiomers of a novel class of 2-(aminomethyl)piperidine derivatives, using K-opioid binding affinity and antinociceptive potency as the indices of biological activity. Compounds incorporating the 1-tetralon-6-ylacetyl residue (30 and 34-45) demonstrated an in vivo antinociceptive activity greater than predicted on the basis of their kappa-binding affinities. In particular, (2S)-2-[(dimethylamino)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2-naphthyl)acetyl]piperidine (34) was found to have a potency similar to spiradoline in animal models of antinociception after subcutaneous administration, with ED(50)s of 0.47 and 0.73 mu mol/kg in the mouse and in the rat abdominal constriction tests, respectively. Further in vivo studies in mice and/or rats revealed that compound 34, compared to other selective K-agonists, has a reduced propensity to cause a number of K-related side effects, including locomotor impairment/sedation and diuresis, at antinociceptive doses. For example, it has an ED(50) Of 26.5 mu mol/kg sc in the rat rotarod model, exhibiting a ratio of locomotor impairment/sedation vs analgesia of 36. Possible reasons for this differential activity and its clinical consequence are discussed.
• Synthesis and Biological Evaluation of 2-Phenylpyran-4-ones:  A New Class of Orally Active Cyclooxygenase-2 Inhibitors
  作者：Francisco Caturla、Juan-Miguel Jiménez、Núria Godessart、Mercè Amat、Alvaro Cárdenas、Lídia Soca、Jordi Beleta、Hamish Ryder、María I. Crespo

  DOI：10.1021/jm049882t

  日期：2004.7.1

  A series of 2-phenylpyran-4-ones were prepared and evaluated for their ability to inhibit cyclooxygenase-2 (COX-2). Extensive structure-activity relationship work was carried out within this series, and a number of potent and selective COX-2 inhibitors were identified. Compounds having a p-methylsulfone group at the 2-phenyl ring showed the best COX-2 inhibitory activity. The introduction of a substituted phenoxy ring at position 3 enhanced both the in vitro and in vivo activity within the series. A selected group of 3-phenoxypyran-4-ones exhibited excellent activity in an experimental model of pyresis. The in vivo antiinflammatory activity of these compounds was confirmed with the evaluation of their antiarthritic and analgesic effectiveness. Moreover, their pharmacokinetic profile in rats is compatible with a once a day administration by oral route in humans. Within this novel series, compounds 21, 31, 34, and 35 have been selected for further preclinical. and clinical evaluation.