3-溴-7-甲氧基-1,2-二氢萘 | 91820-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 3-溴-7-甲氧基-1,2-二氢萘
• 英文名称: 3-bromo-7-methoxy-1,2-dihydronaphthalene
• CAS: 91820-05-2
• 化学式: C₁₁H₁₁BrO
• 分子量: 239.112
• InChiKey: VGHSLKHBSPPCSB-UHFFFAOYSA-N

物化性质

• 熔点：
  38 °C(Solv: pentane (109-66-0))
• 沸点：
  314.9±42.0 °C(Predicted)
• 密度：
  1.441±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-溴-7-甲氧基-1,2-二氢萘 在 magnesium 、 1,2-二溴乙烷 、 硼酸三异丙酯 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 6-methoxy-3,4-dihydro-naphthalen-2-yl-boronic acid
  参考文献：
  名称：

  包含季立体中心的稠合吡咯烷体系的高度对映选择性结构：（+）-肌氨酸的简明形式合成。

  摘要：

  DOI：

  10.1002/anie.200353583
• 作为产物：
  描述：

  trans-2-bromo-1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalene 在 水 、 magnesium carbonate 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 22.0h， 以57%的产率得到3-溴-7-甲氧基-1,2-二氢萘
  参考文献：
  名称：

  Mandal, Asok N.; Bhattacharya, Sudin; Raychaudhuri, Swadesh R., Journal of Chemical Research, Miniprint, 1988, # 11, p. 2856 - 2876

  摘要：

  DOI：

文献信息

• Cascade Reactions of β-Amino-Substituted α,β-Unsaturated Fischer Carbene Complexes with 1,5-Dien-3-ynes as a Convenient Access to Ring-Annelated Benzene Derivatives
  作者：Yao-Ting Wu、Mathias Noltemeyer、Armin de Meijere

  DOI：10.1002/ejoc.200500130

  日期：2005.7

  achieve good chemical yields. This new cascade reaction of Fischer carbene complexes provides a direct route to trindanone analogues under milder conditions than traditional methods, and is compatible with more functionalities. Compounds 14 and 15 with steroid-like skeletons were thus prepared in 54–77 % yields (4 examples) from complex 1-iPr and the bicyclic alkyne 2. Hexacycles 17 and 18 were accessible

  在 80 °C 下在吡啶中加热五羰基（3-二甲氨基-1-乙氧基亚丙烯基）铬配合物 1 和 1,5-二烯-3-炔 2 后，苯-退火的环戊烯酮 8 及其区域异构体 9，由一系列共环化产生， 6π-电环化和水解以 12-75% 的产率分离（13 个实例）。二炔 2 中的烯基取代基越灵活，实现良好化学产率所需的反应时间就越长。Fischer 卡宾配合物的这种新级联反应提供了一条在比传统方法更温和的条件下获得特林达酮类似物的直接途径，并且与更多的功能兼容。因此，由配合物 1-iPr 和双环炔烃 2 以 54-77% 的产率（4 个例子）制备了具有类固醇样骨架的化合物 14 和 15。
• Selective Estrogen Receptor Modulator
  申请人：Hamaoka Shinichi

  公开号：US20120004315A1

  公开（公告）日：2012-01-05

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。
• Selective estrogen receptor modulator
  申请人：Hamaoka Shinichi

  公开号：US20060116364A1

  公开（公告）日：2006-06-01

  The present invention provides a compound represented by the following formula [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof

  本发明提供了一种化合物，其表示为以下式子[其中T表示单键，C1-C4的烷基，可能带有取代基等；式(I-1)表示单键或双键；A表示单键，二价的5-至14-成员杂环基团，可能带有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基团等，可与5-至6-成员环缩合并且可能具有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R'表示1至4个独立的氢原子等；R"表示1至4个独立的氢原子等]或其盐，或其水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATOR
  申请人：Hamaoka Shinichi

  公开号：US20090325930A1

  公开（公告）日：2009-12-31

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; (I-1) formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了一种由以下式（I）表示的化合物；[其中，T表示单键，C1-C4烷基，可以有取代基等；（I-1）式（I-1）表示单键或双键；A表示单键，双价的5-至14-成员杂环基，可以有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基等，可以与5-至6-成员环缩合，可以有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R′表示1至4个独立的氢原子等；R″表示1至4个独立的氢原子等]或其盐，或其水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATORS
  申请人：Eisai Co., Ltd.

  公开号：EP1577288A1

  公开（公告）日：2005-09-21

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; Ra and Rb are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R' represents 1 to 4 independent hydrogen atoms and the like; and R" represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了由下式（I）代表的化合物； [其中 T 代表单键、可能具有取代基的 C1-C4 亚烷基等； 式（I-1）代表单键或双键；A 代表单键、可具有取代基等的二价 5 至 14 元杂环基团；Y 代表单键等；Z 代表亚甲基等；环 G 代表可与 5 至 6 元环缩合且可具有杂原子的亚苯基等；Ra和Rb彼此相同或不同，代表氢原子等；W代表单键等；R'代表1至4个独立氢原子等；R "代表1至4个独立氢原子等]或其盐或其水合物。