十氢萘-2-羧酸 | 13032-41-2

• 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: 十氢萘-2-羧酸
• 英文名称: 3-(Carboxy)bicyclo<4.4.0>decane
• 英文别名: decahydro-2-naphtanoic acid；Decahydro-2-naphthoic acid；decahydro-[2]naphthoic acid；Decahydro-[2]naphthoesaeure；1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
• CAS: 13032-41-2
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: MYVFQFVSXKPBEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 储存条件：
  室温密封，干燥保存。

反应信息

• 作为反应物：
  描述：

  十氢萘-2-羧酸 在 三乙酰氧基硼氢化钠 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 (((1-(5-(decahydronaphthal-2-yl)-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydroquinoline-6-yl)methyl)amino)propionate tert-butyl ester
  参考文献：
  名称：

  [EN] OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF
  [FR] DÉRIVÉ D'OXADIAZOLE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION
  [ZH] 一种噁二唑衍生物及其制备方法和用途

  摘要：

  一种噁二唑衍生物及其制备方法和用途，所述噁二唑衍生物具有式一所示结构。该噁二唑衍生物对S1P1具有非常好的激动作用，可以用于治疗或预防例如多发性硬化症、炎症性肠炎、类风湿性关节炎、特应性皮炎、移植性抗宿主病或银屑病等自身免疫性疾病。

  公开号：

  WO2023179366A1
• 作为产物：
  描述：

  2-萘甲酸 在 platinum(IV) oxide 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 以100%的产率得到十氢萘-2-羧酸
  参考文献：
  名称：

  摘要：

  Naphthalene was used as a model compound in order to study the anaerobic pathway of polycyclic aromatic hydrocarbon degradation. Previously we had determined that carboxylation is an initial step for anaerobic metabolism of naphthalene, but no other intermediate metabolites were identified (Zhang & Young 1997). In the present study we further elucidate the pathway with the identification of six novel naphthalene metabolites detected when cultures were fed naphthalene in the presence of its analog 1-fluoronaphthalene. Results from cultures supplemented with either deuterated naphthalene or non-deuterated naphthalene plus [C-13]bicarbonate confirm that the metabolites originated from naphthalene. Three of these metabolites were identified by comparison with the following standards: 2-naphthoic acid (2-NA), 5,6,7,8-tetrahydro-2-naphthoic acid, and decahydro-2-naphthoic acid. The presence of 5,6,7,8-tetrahydro-2-NA as a metabolite of naphthalene degradation indicates that the first reduction reaction occurs at the unsubstituted ring, rather than the carboxylated ring. The overall results suggest that after the initial carboxylation of naphthalene, 2-NA is sequentially reduced to decahydro-2-naphthoic acid through 5 hydrogenation reactions, each of which eliminated one double bond. Incorporation of deuterium atoms from D2O into 5,6,7,8-tetrahydro-2-naphthoic acid suggests that water is the proton source for hydrogenation.

  DOI：

  10.1023/a:1011128109670

文献信息

• Imidazopyrazine tyrosine kinase inhibitors
  申请人：Beck Anne Patricia

  公开号：US20060084654A1

  公开（公告）日：2006-04-20

  Compounds of the formula and pharmaceutically acceptable salts thereof, wherein Q 1 and R 1 are defined herein, inhibit the IGF-1R enzyme and are useful for the treatment and/or prevention of various diseases and conditions that respond to treatment by inhibition of tyrosine kinases.

  该式化合物及其药用盐，其中Q1和R1在此处被定义，抑制IGF-1R酶，并可用于治疗和/或预防对酪氨酸激酶抑制治疗有反应的各种疾病和症状。
• IMIDAZOPYRAZINE TYROSINE KINASE INHIBITORS
  申请人：Beck Anne Patricia

  公开号：US20080227788A9

  公开（公告）日：2008-09-18

  Compounds of the formula and pharmaceutically acceptable salts thereof, wherein Q 1 and R 1 are defined herein, inhibit the IGF-1R enzyme and are useful for the treatment and/or prevention of various diseases and conditions that respond to treatment by inhibition of tyrosine kinases.

  公式中的化合物及其药学上可接受的盐，其中Q1和R1的定义如下，能够抑制IGF-1R酶，并且对于需要通过抑制酪氨酸激酶治疗和/或预防的各种疾病和病况有用。
• Imidazopyrazine Tyrosine Kinase Inhibitors
  申请人：Beck Patricia Anne

  公开号：US20090181940A1

  公开（公告）日：2009-07-16

  Compounds of the formula and pharmaceutically acceptable salts thereof, wherein Q 1 and R 1 are defined herein, inhibit the IGF-1R enzyme and are useful for the treatment and/or prevention of various diseases and conditions that respond to treatment by inhibition of tyrosine kinases.

  该式化合物及其药学上可接受的盐，其中Q1和R1的定义如本文所述，抑制IGF-1R酶并可用于治疗和/或预防对酪氨酸激酶抑制治疗有反应的各种疾病和病况。
• S-substituted carbonyl substituted betathioacrylamide biocides and fungicides
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0440329A1

  公开（公告）日：1991-08-07

  Novel compounds represented by the formula wherein R1 is an organic radical having at least 2 carbon atoms; R2 is an organic radical ; and A = CO, CH2, or CHR3 where R3 is unsubstituted or substituted alkyl ; and Z1 and Z2 are each independently hydrogen, halogen, or (C1-C4) alkyl are disclosed for use as a microbicide.

  式所代表的新型化合物 其中 R1 是至少有 2 个碳原子的有机基； R2 是有机基；以及 A = CO、CH2 或 CHR3，其中 R3 是未取代或取代的烷基；以及 Z1 和 Z2 各自独立地为氢、卤素或（C1-C4）烷基。
• [EN] PROCESS FOR PREPARING 2-ACETONAPHTHONES
  申请人：EASTMAN KODAK COMPANY

  公开号：WO1989003374A1

  公开（公告）日：1989-04-20

  (EN) 2-Acetonaphthones are prepared by heating a ketal or enol ethers of acetyl-substituted benzalacetone at a temperature effective to cyclize the compound and form said 2-acetonaphthones.(FR) On prépare des 2-acétonaphtones en chauffant un cétal ou des éthers d'énol de benzalacétone à substitution acétyle à une température efficace pour cycliser le composé et former lesdites 2-acétonaphtones.

  2-甲苯 naphtones 通过加热具有甲基苯丙酮的醚核或 enamol 的醚而制备，此温度有效促进环化反应，形成所述 2-甲苯 naphtones。