methyl 8-methoxy-2,2-bis(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-carboxylate | 276263-79-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: methyl 8-methoxy-2,2-bis(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-carboxylate
• 英文别名: Methyl 8-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
• CAS: 276263-79-7
• 化学式: C₃₀H₂₆O₆
• 分子量: 482.533
• InChiKey: VKMMHPBLKVXUSM-UHFFFAOYSA-N

物化性质

• 沸点：
  651.4±55.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 8-methoxy-2,2-bis(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-carboxylate 在 2,6-二甲基吡啶 、 4-二甲氨基吡啶 、 dirhodium tetraacetate 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (3aS,9bR,9cS)-4-[3,3-Bis-(4-methoxy-phenyl)-prop-2-en-(Z)-ylidene]-8-methoxy-1,5-dioxo-5,9b-dihydro-4H-2-oxa-cyclopenta[2,3]cyclopropa[1,2-a]naphthalene-9c-carboxylic acid ethyl ester
  参考文献：
  名称：

  Photochromic Naphthopyrans Containing a Latent Carbene Unit

  摘要：

  3-(Hydroxyalkyl)-1-naphthols 12 have been accessed in two steps from an isoquinolinium salt. The naphthopyrans 15, derived from 12, were readily diazoacylated with ethyl diazomalonyl chloride. The carbenoid generated from 16 failed to undergo any cycloaddition and was instead intercepted by water to afford 18.

  DOI：

  10.1080/15421400590946767
• 作为产物：
  描述：

  1,1-双(4-甲氧基苯基)-2-丙炔-1-醇 、 methyl 4-hydroxy-7-methoxynaphthalene-2-carboxylate 在 aluminum oxide 作用下， 以 甲苯 为溶剂， 反应 1.5h， 以55%的产率得到methyl 8-methoxy-2,2-bis(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-carboxylate
  参考文献：
  名称：

  Gabbutt, Christopher D.; Hepworth, John D.; Heron, B. Mark, Heterocycles, 2004, vol. 63, # 3, p. 567 - 582

  摘要：

  DOI：

文献信息

• PHOTOCHROMIC SUBSTIITUTED 2H-NAPHTHO[1,2-B]PYRANS
  申请人：JAMES ROBINSON LIMITED

  公开号：EP1140892A1

  公开（公告）日：2001-10-10
• [EN] PHOTOCHROMIC SUBSTITUTED 2H-NAPHTHO[1,2-b]PYRANS<br/>[FR] 2H-NAPHTHO[1,2-B]PYRANS SUBSTITUES PHOTOCHROMES
  申请人：JAMES ROBINSON LTD

  公开号：WO2000035902A1

  公开（公告）日：2000-06-22

  A 2H-naphtho[1,2-b]pyran of general formula (I) wherein R5 is substituted and where R8 is selected from the substituents including hydrogen, linear or branched C¿1?-C20 alkyl, C3-C20 cycloalkyl, C4-C20 bicycloalkyl, C5-C20 polycycloalkyl, linear or branched C1-C20 haloalkyl, linear or branched C1-C20 perhaloalkyl, linear or branched C2-C20 alkenyl, linear or branched C4-C20 polyalkenyl, linear or branched C2-C20 alkynyl, linear or branched C4-C20 polyalkynyl, linear or branched C1-C20 hydroxyalkyl, linear or branched C1-C20 alkylcarbonyl, linear or branched C1-C20 polyhydroxyalkyl, linear or branched C1-C20 alkoxy, linear of branched C1-C20 alkylthio, linear or branched C1-C20(C1-C5 or C1-C10alkoxy)alkyl, linear or branched C1-C20(C1-C5 or C1-C10alkylthio)alkyl, benzoyl, aroyl, heteraroyl, phenyl, aryl, heteroaryl, halogen, hydroxyl, formyl, acetyl, linear or branched C3-C20 alkenoyl, linear or branched C5-C20 polyalkenoyl, nitrile, carboxyl, C1-C20 or C1-C5 alkoxycarbonyl, C1-C20 N-alkylamido, C1-C20 or C1-C5 N, N-dialkylamido, amido, nitro, amino, C1-C20 or C1-C5 alkylamino, C1-C20 dialkylamino, C2-C20 dialkenylamino, C4-C20di(polyalkenyl)amino, arylamino, diarylamino, C1-C20 alkylarylamino, cyclic-amino groups, arylsulfanyl, aryloxy, arylsulfinyl, arylsulfonyl, linear or branched C1-C20 alkylsulfonyl, and di-(C1-C10 or C1-C20 alkoxyalkyl)phosphonyl and X includes O, S, NH, or the function R?8¿X is selected from aziridino, mono- or poly- substituted linear or branched C¿1?-C20 alkyl aziridino, pyrrolidino, mono- or poly- substituted linear or branched C1-C20 alkyo pyrrolidino, piperidino, mono- or poly- substituted linear or branched C1-C20 alkyl piperidino, morpholino, mono- or poly- substituted linear or branched C1-C20 alkyl morpholino, thiomorpholino, mono- or poly- substituted linear or branched C1-C20 alkyl thiomorpholino, indolino, mono- or poly- substituted linear or branched C1-C20 alkyl indolino, piperazino, mono- or poly- substituted linear or branched C1-C20 alkyl piperazino, linear or branched C1-C20N-alkylpiperazino, linear or branched C1-C20N-hydroxyalkylpiperazino, N-phenylpiperazino, N-aryliperazino, homopiperidino, mono- or poly- substituted linear or branched C1-C20 alkyl homopiperidino, N-indolinyl, N-1,2,3,4-tetrahydroquinolinyl, N-1,2,3,4,4a-hexahydrocarbazolyl. The compounds may be combined with polymeric host material such as plastic or glass or make a sunglass lens, an ophthalmic lens or a window. The compounds may also be included in an ink or a fuel.
• Photochromic Naphthopyrans Containing a Latent Carbene Unit
  作者：Christopher D. Gabbutt、B. Mark Heron、David A. Thomas、Steven M. Partington、Mark E. Light、Michael B. Hursthouse

  DOI：10.1080/15421400590946767

  日期：2005.6.1

  3-(Hydroxyalkyl)-1-naphthols 12 have been accessed in two steps from an isoquinolinium salt. The naphthopyrans 15, derived from 12, were readily diazoacylated with ethyl diazomalonyl chloride. The carbenoid generated from 16 failed to undergo any cycloaddition and was instead intercepted by water to afford 18.
• Gabbutt, Christopher D.; Hepworth, John D.; Heron, B. Mark, Heterocycles, 2004, vol. 63, # 3, p. 567 - 582
  作者：Gabbutt, Christopher D.、Hepworth, John D.、Heron, B. Mark、Thomas, David A.、Kilner, Colin、Partington, Steven M.

  DOI：——

  日期：——