(RS)-2,3,3a,4,5,6-hexahydro-phenalen-1-one | 62715-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (RS)-2,3,3a,4,5,6-hexahydro-phenalen-1-one
• 英文别名: 2,3,3a,4,5,6-Hexahydrophenalen-1-one；2,3,3a,4,5,6-hexahydro-phenalen-1-one；2,3,3a,4,5,6-Hexahydro-phenalen-1-on；1-Oxo-4.5.6.12-tetrahydro-perinaphthindan；1.8-Trimethylen-tetralon-(4)；2,3,3a,4,5,6-hexahydro-1H-phenalen-1-one；2,3,3a,4,5,6-Hexahydro-phenalene-1-one
• CAS: 62715-22-4
• 化学式: C₁₃H₁₄O
• 分子量: 186.254
• InChiKey: QNRJGJGWMUTXNK-UHFFFAOYSA-N

物化性质

• 熔点：
  69.2-70 °C
• 沸点：
  114 °C(Press: 0.03 Torr)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  (RS)-2,3,3a,4,5,6-hexahydro-phenalen-1-one 在 palladium on activated charcoal 作用下， 生成 2,3-二氢-1H-萉
  参考文献：
  名称：

  溶剂1：2-苯并环辛烯基-（3）-甲基甲苯磺酸酯：溶剂1：2-苯并环壬烯基-（4）-碳鎓离子

  摘要：

  在多步法的结果下，在无缓冲介质中，将1：2-苯并环辛烯基-（3）-甲苯磺酸甲酯（IX）进行多步法转化为非烯烃，结果证明是四氢环萘烷（XII）。但是，在甲酸钠存在下进行甲酸分解会导致环扩大为1：2-苯并环壬烯基-（4）-甲酸酯（XX）和1：2-苯并环壬基-1,3-二烯（XXII）。IX的水解还伴随着对XIX和XXII的完全重排。讨论了四氢过环庚烷的形成机理。

  DOI：

  10.1016/s0040-4020(01)93211-9
• 作为产物：
  描述：

  3-(3,4-dihydronaphthalen-1-yl)propanoic acid 在 palladium on activated charcoal PPA 、 氢气 作用下， 以 乙醇 为溶剂， 20.0~120.0 ℃ 、344.74 kPa 条件下， 反应 0.5h， 生成 (RS)-2,3,3a,4,5,6-hexahydro-phenalen-1-one
  参考文献：
  名称：

  Synthesis and theoretical study of 2-amino-2,3,3a,4,5,6-hexahydro-1H-phenalene and its biological evaluation on central dopaminergic system

  摘要：

  Compound 2 considered as a rigid non-hydroxylated 2-amino tetralin was synthesized and biologically evaluated. Central administration of compound 2 (50 mug or 100 mug/10 mul) induced a reduction in urinary sodium and potassium excretion at 3 and 6 h of urine collection. We speculate that compound 2 may be acting as a dopamine receptor antagonist. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(00)00081-1

文献信息

• Biologically-active tricyclic amines
  申请人：Akzo N.V.

  公开号：US04564698A1

  公开（公告）日：1986-01-14

  The present invention relates to new tricyclic compounds of the formula: ##STR1## having valuable CNS and cardiovascular properties.

  本发明涉及具有宝贵的CNS和心血管性质的新三环化合物，其化学公式如下：##STR1##。
• Benzimidazolone and quinazolinone derivatives as agonists on human ORL1 receptors
  申请人：Den Hartog A.J. Jacobus

  公开号：US20050070528A1

  公开（公告）日：2005-03-31

  The invention relates to a group of novel benzimidazolone and quinazolinone derivatives which are agonists on human ORL1 (nociceptin) receptors. The invention also relates to the preparation of these compounds, to pharmaceutical compositions containing a pharmacologically active amount of at least one of these imidazolone and quinazolinone derivatives as an active ingredient, as well as to the use of these pharmaceutical compositions for the treatment of disorders in which ORL1 receptors are involved. The invention relates to compounds of the general formula (1): wherein the symbols have the meanings as given in the description.

  该发明涉及一组新型苯并咪唑酮和喹唑酮衍生物，这些衍生物是人类ORL1（nociceptin）受体的激动剂。该发明还涉及制备这些化合物，含有至少一种这些咪唑酮和喹唑酮衍生物的药理活性量作为活性成分的药物组合物，以及利用这些药物组合物治疗涉及ORL1受体的疾病。该发明涉及一般公式（1）的化合物：其中符号的含义如描述中所述。
• TRICYCLIC AMINE COMPOUND
  申请人：Research Foundation Itsuu Laboratory

  公开号：EP2189440A1

  公开（公告）日：2010-05-26

  A compound represented by the following general formula (I): [wherein R1 represents hydrogen atom or a C16 alkyl group, A and B represent -(CH2)2-, -(CH2)3- or -(CH2)4-, X represents -N(R2)- (R2 represents hydrogen atom or a C1-6 alkyl group), -CO-, -C(=N-R3)- (R3 represents hydrogen atom or a C1-6 alkyl group), or - C(=C(R4)(R5))- (R4 and R5 independently represent hydrogen atom or a C1-6 alkyl group), and Ar represents an aryldiyl group or a heteroaryldiyl group], which has an action of controlling physiological activities of retinoids and useful as an active ingredient of a medicament.

  通用公式（I）代表的化合物：[其中R1代表氢原子或C16烷基，A和B代表-(CH2)2-，-(CH2)3-或-(CH2)4-，X代表-N(R2)-（R2代表氢原子或C1-6烷基），-CO-，-C(=N-R3)-（R3代表氢原子或C1-6烷基），或-C(=C(R4)(R5))-（R4和R5独立代表氢原子或C1-6烷基），Ar代表芳基二基团或杂芳基二基团]，具有控制视黄醇生理活性的作用，并可用作药物的活性成分。
• DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES
  申请人：——

  公开号：US20030176701A1

  公开（公告）日：2003-09-18

  The present invention relates to compounds of the general formula 1 wherein R 1 is C 6-10 -cycloalkyl, optionally substituted by lower alkyl or —C(O)O-lower alkyl; decahydro-naphthalen-1-yl; decahydro-naphthalen-2-yl; indan-1-yl or indan-2-yl, optionally substituted by lower alkyl; decahydro-azulen-2-yl; bicyclo[6.2.0]dec-9-yl; acenaphthen-1-yl; 2,3-dihydro-1H-phenalen-1-yl; 2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl or octahydro-inden-2-yl; R 2 is hydrogen; lower alkyl; ═O or phenyl, optionally substituted by lower alkyl, halogen or alkoxy; 2 is cyclohexyl or phenyl, optionally substituted by lower alkyl, halogen or alkoxy; X is —CH(OH)—; —C(O)—; —CHR 3 —; —CR 3 ═; —O—; —S—; —CH(COOR 4 )— or —C(COOR 4 )═; Y is —CH 2 —; —CH═; —CH(COOR 4 )—, —C(COOR 4 )═; or —C(CN)—; R 3 is hydrogen or lower alkoxy; R 4 is lower alkyl, cycloalkyl, phenyl, or benzyl and either a or b is optionally an additional bond, and to pharmaceutically acceptable acid addition salts thereof. The compounds are agonists of the orphanin FQ (QFQ) receptor and therefore useful in the treatment of diseases, related to this receptor.

  本发明涉及一般式1的化合物， 其中， R1是C6-10环烷基，可选地被较低烷基或-C（O）O-较低烷基取代； 十氢萘-1-基；十氢萘-2-基；吲哚-1-基或吲哚-2-基，可选地被较低烷基取代； 十氢-萜烯-2-基； 双环[6.2.0]癸-9-基； 萘并环[1]苯-1-基； 2,3-二氢-1H-菲-1-基； 2,3,3a,4,5,6-六氢-1H-菲-1-基或八氢-茚-2-基； R2是氢；较低烷基；═O或苯基，可选地被较低烷基，卤素或烷氧基取代； 2是环己基或苯基，可选地被较低烷基，卤素或烷氧基取代； X是—CH（OH）—；—C（O）—；—CHR3—；—CR3═；—O—；—S—；—CH（COOR4）—或—C（COOR4）═； Y是—CH2—；—CH═；—CH（COOR4）—，—C（COOR4）═；或—C（CN）—； R3是氢或较低烷氧基； R4是较低烷基，环烷基，苯基或苯甲基； a或b是可选的额外键，以及其药学上可接受的酸盐。 这些化合物是孤儿受体FQ（QFQ）激动剂，因此在与该受体相关的疾病的治疗中有用。
• Tricyclic amide compound
  申请人：Research Foundation Itsuu Laboratory

  公开号：US08232300B2

  公开（公告）日：2012-07-31

  A compound represented by the following general formula (I): [wherein R1 represents hydrogen atom or a C1-6 alkyl group, A and B represent —(CH2)2—, —(CH2)3—or —(CH2)4—, X represents —N(R2)—CO—(R2 represents hydrogen atom or a C1-6 alkyl group), —CO—N(R3)—(R3 represents hydrogen atom or a C1-6 alkyl group), —C(R4)═C(R5)—(R4 and R5 represent hydrogen atom or a C1-6 alkyl group), or —N(R6)—SO2—(R6 represents hydrogen atom or a C1-6 alkyl group), and Ar represents an aryldiyl group or a heteroaryldiyl group], which has a retinoid action and is useful as an active ingredient of a medicament.

  以下是一种由下列通式（I）表示的化合物：[其中R1代表氢原子或C1-6烷基，A和B代表—（CH2）2—，—（CH2）3—或—（CH2）4—，X代表—N（R2）—CO—（R2代表氢原子或C1-6烷基），—CO—N（R3）—（R3代表氢原子或C1-6烷基），—C（R4）═C（R5）—（R4和R5代表氢原子或C1-6烷基），或—N（R6）—SO2—（R6代表氢原子或C1-6烷基），Ar代表芳基二烷基或杂芳基二烷基]，具有视黄醇作用，并可作为药物的活性成分使用。