methyl 5-methoxy-3,4-dihydro-2-naphthoate | 116503-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 5-methoxy-3,4-dihydro-2-naphthoate
• 英文别名: methyl (5-methoxy-3,4-dihydro-2-naphthyl)formate；methyl 5-methoxy-3,4-dihydronaphthalene-2-carboxylate
• CAS: 116503-68-5
• 化学式: C₁₃H₁₄O₃
• 分子量: 218.252
• InChiKey: SYSOKGIHVDGFTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-methoxy-3,4-dihydro-2-naphthoate 在 18-冠醚-6 、 四溴化碳 、 potassium tert-butylate 、 三溴化硼 、 二异丁基氢化铝 、 potassium carbonate 、 三苯基膦 、 5-benzhydryl-2-pyridone 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 生成 1-[(3,4-Dihydro-5-ethoxycarbonylmethoxy-2-naphthyl)methyl]-3-diphenylmethyl-2(1H)-pyridone
  参考文献：
  名称：

  A novel pyridazinone derivative as a nonprostanoid PGI2 agonist

  摘要：

  A novel optically pure pyridazinone derivative was synthesized and identified as a nonprostanoid PGI(2) agonist. It inhibited ADP-induced aggregation of human platelets with an IC50 value of 0.081 muM and has high oral bioavailability (56%) with a long half-life (4.3 h) in rats. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00571-0
• 作为产物：
  描述：

  methyl 2-(3-methoxybenzylidene)-3-buten-1-oate 以61%的产率得到methyl 5-methoxy-3,4-dihydro-2-naphthoate
  参考文献：
  名称：

  Thermal ring annulation of .alpha.-vinylcinnamate methyl esters. A method for the generation of 3,4-dihydro-2-naphthoate and 2-naphthoate methyl esters

  摘要：

  DOI：

  10.1021/jo00255a010

文献信息

• Naphthalene derivatives as prostaglandin I.sub.2 agonsists
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05763489A1

  公开（公告）日：1998-06-09

  A compound of the formula ##STR1## wherein R.sup.1 is carboxy or protected carboxy, R.sup.2 is hydrogen, hydroxy or protected hydroxy, R.sup.3 is hydrogen, hydroxy, protected hydroxy, etc., R.sup.4 is hydrogen or halogen, A.sup.1 is lower alkylene, A.sup.2 is bond or lower alkylene, --R.sup.5 is ##STR2## (in which R.sup.6 is mono(or di or tri)aryl(lower)alkyl and Z is N or CH), etc., and ##STR3## and a pharmaceutically acceptable salt thereof which are useful as medicaments.

  一种化学式为##STR1##的化合物，其中R.sup.1是羧基或保护的羧基，R.sup.2是氢、羟基或保护的羟基，R.sup.3是氢、羟基、保护的羟基等，R.sup.4是氢或卤素，A.sup.1是较低的烷基，A.sup.2是键或较低的烷基，--R.sup.5是##STR2##（其中R.sup.6是单（或双或三）芳基（较低）烷基，Z为N或CH），等等，以及##STR3##和其药用盐，可用作药物。
• Naphthalene derivatives
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05863918A1

  公开（公告）日：1999-01-26

  A compound or the formula: ##STR1## wherein R.sup.1 is carboxy or protected carboxy, R.sup.2 is hydrogen, hydroxy or protected hydroxy, R.sup.3 is hydrogen, hydroxy, protected hydroxy, etc., R.sup.4 is hydrogen or halogen, A.sup.1 is lower alkylene, A.sup.2 is bond or lower alkylene, --R.sup.5 is ##STR2## (in which R.sup.6 is mono(or di or tri)aryl(lower)alkyl and Z is N or CH), etc., and ##STR3## etc., and a pharmaceutically acceptable salt thereof which are useful as medicaments.

  一种化合物或式子：##STR1## 其中R.sup.1是羧基或保护羧基，R.sup.2是氢，羟基或保护羟基，R.sup.3是氢，羟基，保护羟基等，R.sup.4是氢或卤素，A.sup.1是低级烷基，A.sup.2是键或低级烷基，--R.sup.5是##STR2## （其中R.sup.6是单（或二或三）芳基（低）烷基，Z是N或CH），等等，以及其药学上可接受的盐，可用作药物。
• Thermal ring annulation of .alpha.-vinylcinnamate methyl esters. A method for the generation of 3,4-dihydro-2-naphthoate and 2-naphthoate methyl esters
  作者：Joseph R. Zoeller

  DOI：10.1021/jo00255a010

  日期：1988.9
• A novel pyridazinone derivative as a nonprostanoid PGI2 agonist
  作者：Kazunori Tsubaki、Kiyoshi Taniguchi、Seiichiro Tabuchi、Osamu Okitsu、Kouji Hattori、Jiro Seki、Kazuo Sakane、Hirokazu Tanaka

  DOI：10.1016/s0960-894x(00)00571-0

  日期：2000.12

  A novel optically pure pyridazinone derivative was synthesized and identified as a nonprostanoid PGI(2) agonist. It inhibited ADP-induced aggregation of human platelets with an IC50 value of 0.081 muM and has high oral bioavailability (56%) with a long half-life (4.3 h) in rats. (C) 2000 Elsevier Science Ltd. All rights reserved.