1-噁螺[2.5]辛烷-6-羧酸乙酯 | 171361-65-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-噁螺[2.5]辛烷-6-羧酸乙酯
• 中文别名: 1-氧杂螺[2.5]辛烷-6-甲酸乙酯
• 英文名称: ethyl 1-oxaspiro[2.5]octane-6-carboxylate
• 英文别名: 1-oxaspiro[2.5]octane-6-carboxylic acid ethyl ester
• CAS: 171361-65-2
• 化学式: C₁₀H₁₆O₃
• mdl: MFCD12498695
• 分子量: 184.235
• InChiKey: GQJWTOYPOHWVKC-UHFFFAOYSA-N

物化性质

• 沸点：
  257℃
• 密度：
  1.10
• 闪点：
  102℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2932999099
• 储存条件：
  -20℃密封、干燥，存放在冰箱中。

反应信息

• 作为反应物：
  描述：

  1-噁螺[2.5]辛烷-6-羧酸乙酯 在 双氧水 、 四氯化锡 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 以66%的产率得到trans-ethyl (4-hydroperoxy-4-hydroxymethyl) cyclohexanecarboxylate
  参考文献：
  名称：

  Tin(IV) Chloride Promoted Reaction of Oxiranes with Hydrogen Peroxide

  摘要：

  A group of substituted oxiranes were readily transformed to the corresponding beta-hydroxyhydroperoxides (HHP) in good yields in ethereal SnCl4-H2O2 system in which SnCl4 acts as catalyst. Alternatively, treating oxiranes with SnCl4 first, followed by addition of ethereal H2O2 solution achieved primary gem-dihydroperoxides (DHP) in moderate yields. In the case of preparing DHP, SnCl4 first promoted the rearrangement of oxiranes to aldehydes, followed by condensation with hydrogen peroxide to provide DHP as final products.

  DOI：

  10.1055/s-0032-1318213
• 作为产物：
  描述：

  对环己酮甲酸乙酯 、 三甲基碘化锍 在 2,8,9-三异丁基-2,5,8,9-四氮杂-1-磷酸双向环[3.3.3]十一烷 作用下， 以 乙腈 为溶剂， 反应 1.5h， 生成 1-噁螺[2.5]辛烷-6-羧酸乙酯
  参考文献：
  名称：

  WO2008/92887

  摘要：

  公开号：

文献信息

• TRICYCLIC SULFONES AS ROR GAMMA MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20180127368A1

  公开（公告）日：2018-05-10

  There are described RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式(I)的RORγ调节剂，或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中所有取代基都在此定义。还提供了包含相同成分的药物组合物。这类化合物和组合物在调节细胞中RORγ活性的方法和治疗受疾病或紊乱影响的个体的方法中是有用的，例如，那些从调节RORγ活性中会得到治疗益处的自身免疫性和/或炎症性紊乱。
• Synthesis of 3- and 4-substituted cyclic α-amino acids structurally related to ACPD
  作者：Francisco Alonso、Irene Micó、Carmen Nájera、José M. Sansano、Miguel Yus、Jesús Ezquerra、Belén Yruretagoyena、Ismael Gracia

  DOI：10.1016/0040-4020(95)00586-w

  日期：1995.9

  The preparation of 3-substituted cyclopentanones 12-16, 4-substituted cyclohexanones 23–28 and cycloheptanones 38–41 is described. Substituents in the cycloalkanones are carboxylate, phosphonate or tetrazole groups, separated from the ring by a 0, 1, 2, or 3 carbon atoms chain. These cycloalkanones have been transformed into α-amino acids 9–11 by hydrolysis of the corresponding hydantoin derivatives

  的3-取代的环戊酮的制备12-16，4-取代的环己酮23-28和cycloheptanones 38-41进行说明。环烷酮中的取代基是羧酸酯基，膦酸酯基或四唑基，它们通过0、1、2或3个碳原子链与环隔开。这些环烷酮已变成α氨基酸9-11由相应的乙内酰脲衍生物的水解21，37和62，Bucherer-Bergs反应条件下获得。
• Spiro Compounds As NPY Y5 Receptor Antagonists
  申请人：Biagetti Matteo

  公开号：US20090203705A1

  公开（公告）日：2009-08-13

  The present invention relates to novel compounds of formula (I), or a pharmaceutically acceptable salt thereof, wherein R is an aryl or heteroaryl, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C1-C4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano; Z 1 is H, C 1 -C 4 alkyl or F; Z is CH 2 , CH(C 1 -C 4 alkyl), C(C 1 -C 4 alkyl) 2 or a bond; A is a 6-10 membered aryl or heteroaryl, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano; or —C(═O)—X; or —O(CH 2 ) 0-1 R 1 ; B is hydrogen or is a 5-6 membered heteroaryl, or a 4-6 membered heterocycle, or phenyl, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, hydroxyl, cyano; A and B being linked via any atom; R 1 is —(C 1 -C 4 )alkyl(C 1 -C 4 )alkoxy; or C 3 -C 8 cycloalkyl; or R 1 is an aryl or heteroaryl, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano; or R 1 is a 4-6 membered heterocycle, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano; X is OR 2 or NR 3 R 4 ; R 2 is C 1 -C 4 alkyl; R 3 is hydrogen or together with R 4 and the nitrogen form a 5-6 saturated membered ring; R 4 is C 3 -C 8 cycloalkyl; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as NPY Y5 receptor antagonists and as agents for the treatment and/or prophylaxis of eating disorders such as a binge eating disorder.

  本发明涉及式(I)的新化合物或其药学上可接受的盐，其中R是芳基或杂芳基，可以被一个或多个卤素、C1-C4烷基、C1-C4氧烷基、C1-C4卤代烷基、C1-C4卤代氧烷基、氰基取代；Z1是H、C1-C4烷基或F；Z是CH2、CH(C1-C4烷基)、C(C1-C4烷基)2或键；A是一个6-10成员芳基或杂芳基，可以被一个或多个卤素、C1-C4烷基、C1-C4氧烷基、C1-C4卤代烷基、C1-C4卤代氧烷基、氰基或—C(═O)—X取代；或—O(CH2)0-1R1；B是氢或是一个5-6成员杂芳基、或一个4-6成员杂环、或苯基，可以被一个或多个卤素、C1-C4烷基、C1-C4氧烷基、C1-C4卤代烷基、C1-C4卤代氧烷基、羟基、氰基取代；A和B通过任何原子连接；R1是—(C1-C4)烷基(C1-C4)氧基；或C3-C8环烷基；或R1是一个芳基或杂芳基，可以被一个或多个卤素、C1-C4烷基、C1-C4氧烷基、C1-C4卤代烷基、C1-C4卤代氧烷基、氰基取代；或R1是一个4-6成员杂环，可以被一个或多个卤素、C1-C4烷基、C1-C4氧烷基、C1-C4卤代烷基、C1-C4卤代氧烷基、氰基取代；X是OR2或NR3R4；R2是C1-C4烷基；R3是氢或与R4和氮一起形成一个5-6饱和成员环；R4是C3-C8环烷基；它们的制备方法，用于这些方法的中间体，含有它们的药物组合物以及它们作为NPY Y5受体拮抗剂和用于治疗和/或预防暴饮暴食等进食障碍的药物的用途。
• Chemical Compounds
  申请人：Bentley Jonathan

  公开号：US20090042897A1

  公开（公告）日：2009-02-12

  The present invention relates to novel compounds or a pharmaceutically acceptable salt or solvate thereof, selected from a group consisting of: (trans)-8-([1-(2-fluorophenyl)-1H-pyrazol-3-yl]amino}methyl)-3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one; (trans)-8-([1-(2-fluorophenyl)-1H-pyrazol-3-yl]amino}methyl)-3-(3-pyridazinyl)-1-oxa-3-azaspiro[4.5]decan-2-one; (trans)-8-([1-(2-fluorophenyl)-1H-pyrazol-3-yl]amino}methyl)-3-(1-methyl-1H-pyrazol-3-yl)-1-oxa-3-azaspiro[4.5]decan-2-one; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as NPY Y5 receptor antagonists and as agents for the treatment and/or prophylaxis of eating disorders such as a binge eating disorder.

  本发明涉及一组新化合物或其药学上可接受的盐或溶剂，所述化合物从以下组中选择：（顺式）-8-（[1-（2-氟苯基）-1H-吡唑-3-基]氨基}甲基）-3-（2-氟-3-吡啶基）-1-氧杂-3-氮杂螺[4.5]癸烷-2-酮；（顺式）-8-（[1-（2-氟苯基）-1H-吡唑-3-基]氨基}甲基）-3-（3-吡嗪基）-1-氧杂-3-氮杂螺[4.5]癸烷-2-酮；（顺式）-8-（[1-（2-氟苯基）-1H-吡唑-3-基]氨基}甲基）-3-（1-甲基-1H-吡唑-3-基）-1-氧杂-3-氮杂螺[4.5]癸烷-2-酮；以及用于它们的制备的中间体，包含它们的药物组合物以及它们作为NPY Y5受体拮抗剂和治疗和/或预防暴食障碍等进食障碍的药物的用途。
• SPIRO ANTIBIOTIC DERIVATIVES
  申请人：Hubschwerlen Christian

  公开号：US20090270375A1

  公开（公告）日：2009-10-29

  The invention relates to compounds of formula (I) wherein R 1 represents H, alkyl, alkoxy, cyano or halogen; one of U and X represents CH or N and the other represents CH, or, in the case of U, may also represent CR a and, in the case of X, may also represent CR b ; R a represents halogen; R b represents halogen or alkoxy; B represents N, D represents CH 2 and A represents CH(OH)CH 2 or CH 2 CH 2 , or B represents CH, D represents CH 2 or O and A represents OCH 2 , CH 2 CH(OH), CH(OH)CH 2 , CH(OH)CH(OH), CH═CH, CH 2 CH 2 Or NHCO, or also B represents C(OH), D represents CH 2 and A represents OCH 2 , CH 2 CH(OH), CH(OH)CH 2 , CH(OH)CH(OH), CH═CH, CH 2 CH 2 Or NHCO; R 2 represents H, alkyl, alkenyl, hydroxyalkyl or alkoxycarbonylalkyl; and E represents naphthyl or a binuclear heterocyclic group; and to salts of such compounds. These compounds are useful as antimicrobial agents.

  本发明涉及公式（I）的化合物，其中R1代表H、烷基、烷氧基、氰基或卤素；U和X中的一个代表CH或N，另一个代表CH，或在U的情况下，也可以代表CRa，在X的情况下，也可以代表CRb；Ra代表卤素；Rb代表卤素或烷氧基；B代表N，D代表CH2，A代表CH（OH）CH2或CH2CH2，或B代表CH，D代表CH2或O，A代表OCH2、CH2CH（OH）、CH（OH）CH2、CH（OH）CH（OH）、CH═CH、CH2CH2或NHCO，或者B代表C（OH），D代表CH2，A代表OCH2、CH2CH（OH）、CH（OH）CH2、CH（OH）CH（OH）、CH═CH、CH2CH2或NHCO；R2代表H、烷基、烯基、羟基烷基或烷氧羰基烷基；E代表萘基或双核杂环基团；以及这些化合物的盐。这些化合物可用作抗微生物剂。