1,2,6,7,8,9-hexahydro-3H-cyclopenta[a]naphthalen-3-one | 42981-70-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1,2,6,7,8,9-hexahydro-3H-cyclopenta[a]naphthalen-3-one
• 英文别名: 1,2,6,7,8,9-hexahydro-cyclopenta[a]naphthalen-3-one；1,2,6,7,8,9-Hexahydro-cyclopenta[a]naphthalin-3-on；1,2,6,7,8,9-Hexahydro-3-oxo-3H-benzinden；3'-Keto(5,6,7,8-tetrahydro)-1,2-cyclopenten-naphtalin；4,5-Tetramethylen-indanon-(1)；1,2,6,7,8,9-hexahydrocyclopenta[a]naphthalen-3-one
• CAS: 42981-70-4
• 化学式: C₁₃H₁₄O
• mdl: MFCD18647824
• 分子量: 186.254
• InChiKey: YLHSBLAMTJNXSW-UHFFFAOYSA-N

物化性质

• 熔点：
  63-64.5 °C
• 沸点：
  143 °C(Press: 1 Torr)
• 密度：
  1.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.461
• 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：

  1,2,6,7,8,9-hexahydro-3H-cyclopenta[a]naphthalen-3-one 在 sulfur 作用下， 生成 1,2-dihydro-cyclopenta[a]naphthalen-3-one
  参考文献：
  名称：

  二苯并芴的贡献：le dibenzo-2，3，5，6，fluorene

  摘要：

  1.二苯并-2,3,5,6-氟代萘醌缩合二苯甲醛-4,5-二氢呋喃酮。确认和重新分类的结构。

  DOI：

  10.1002/hlca.19470300225
• 作为产物：
  描述：

  5,6,7,8-四氢萘-1-甲醛 在 五氯化磷 、 四氯化锡 、 镍 作用下， 以 sodium hydroxide 、 苯 为溶剂， 反应 2.5h， 生成 1,2,6,7,8,9-hexahydro-3H-cyclopenta[a]naphthalen-3-one
  参考文献：
  名称：

  Isabelle, M. Elaine; Wightman, Robert H.; Avdovich, Hajro W., Canadian Journal of Chemistry, 1980, vol. 58, p. 1344 - 1349

  摘要：

  DOI：

文献信息

• [EN] CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST<br/>[FR] CATALYSEUR COMPRENANT UN COMPLEXE MÉTALLOCÈNE ET UN CO-CATALYSEUR
  申请人：SABIC GLOBAL TECHNOLOGIES BV

  公开号：WO2017118617A1

  公开（公告）日：2017-07-13

  The invention relates to a metallocene complex according to formula I or II wherein M is a metal selected from lanthanides or transition metals from group 3, 4, 5 or 6 of the Periodic System of the Elements, Q is an anionic ligand to M, k is the number of Q groups and equals the valence of M minus 2, R is a divalent bridging group, R1, R2, R3 and R4 are each independently chosen from the group consisting of hydrogen (H); a halogen atom; a silyl, alkyl, cycloalkyl, aryl, alkylaryl or arylalkyl group; and R5, R6, R7 and R8 are each independently chosen from the group consisting of hydrogen (H); a halogen atom; a silyl, alkyl, cycloalkyl, aryl, alkylaryl or arylalkyl group; or two adjacent radicals R5 and R6, R6 and R7, and R7 and R8 are connected with each other in a hydrocarbon ring system. The invention also relates to a catalyst comprising the metallocene complex, to a process for making polyolefins and to the use of the polyolefins for making articles.

  该发明涉及一种配位基于公式I或II的金属环戊二烯络合物，其中M是来自元素周期表3、4、5或6族的镧系元素或过渡金属的金属，Q是连接到M的阴离子配体，k是Q基团的数量，等于M的价数减去2，R是二价桥联基团，R1、R2、R3和R4分别独立地选择自氢（H）、卤素原子、硅烷基、烷基、环烷基、芳基、烷基芳基或芳基烷基群；R5、R6、R7和R8分别独立地选择自氢（H）、卤素原子、硅烷基、烷基、环烷基、芳基、烷基芳基或芳基烷基群；或者相邻的基团R5和R6、R6和R7、以及R7和R8在碳氢环系统中相互连接。该发明还涉及包含该金属环戊二烯络合物的催化剂，用于制备聚烯烃的方法以及将聚烯烃用于制造物品的用途。
• Carcinogenic nitrogen compounds. Part LXXVI. Penta- and hexacyclic indenoindoles
  作者：M. Dufour、N. P. Buu-Hoï、P. Jacquignon、D.-P. Hien

  DOI：10.1039/p19720000527

  日期：——

  containing five or six rings have been prepared from acenaphthenone, angular naphthindanones, s-hydrindacen-1-one, and 2,3,4,6,7,8-hexahydro-1H-benz[f]inden-1-one, as potential carcinogens and enzyme inducers. Several of these compounds are highly potent inducers of zoxazolamine hydroxylase.

  已从cen庚酮，角萘并蒽，s-羟基茚满-1-一和2,3,4,6,7,8-六氢-1 H-苯并[ f ] inden制备了许多含有五个或六个环的茚并吲哚。-1-一，作为潜在的致癌物和酶诱导剂。这些化合物中的几种是唑唑胺羟化酶的强力诱导剂。
• Regioselectivity of acid-catalyzed cyclization of 1-(3,4-dialkylaryl)-3-chloropropan-1-ones to indanones. Comparison of experimental data and results of computer simulation
  作者：P. V. Ivchenko、I. E. Nifant’ev、L. Yu. Ustynyuk、V. A. Ezerskii

  DOI：10.1007/s11172-009-0117-0

  日期：2009.5

  The acid-catalyzed cyclization of 1-(3,4-dialkylaryl)-3-chloropropan-1-ones to dialkylindanones via the intermediate formation of (3,4-dialkylaryl)propenones was studied. This reaction affords isomeric products: 5,6-dialkylindan-1-ones and 4,5-dialkylindan-1-ones. The DFT quantum chemical calculation results correlate with the experimental data and suggest that the structural factors affect the ratio of products.

  研究了在酸催化下，1-(3,4-二烷基芳基)-3-氯丙烷-1-酮通过中间体(3,4-二烷基芳基)丙烯酮的形成环化成二烷基茚酮的过程。该反应生成了异构产物：5,6-二烷基茚-1-酮和 4,5-二烷基茚-1-酮。DFT 量子化学计算结果与实验数据相关，并表明结构因素会影响产物的比例。
• Catalyst comprising a metallocene complex and co-catalyst
  申请人：SABIC GLOBAL TECHNOLOGIES B.V.

  公开号：US11040995B2

  公开（公告）日：2021-06-22

  The invention relates to a metallocene complex according to formula I or II wherein M is a metal selected from lanthanides or transition metals from group 3, 4, 5 or 6 of the Periodic System of the Elements, Q is an anionic ligand to M, k is the number of Q groups and equals the valence of M minus 2, R is a divalent bridging group, R1, R2, R3 and R4 are each independently chosen from the group consisting of hydrogen (H); a halogen atom; a silyl, alkyl, cycloalkyl, aryl, alkylaryl or arylalkyl group; and R5, R6, R7 and R8 are each independently chosen from the group consisting of hydrogen (H); a halogen atom; a silyl, alkyl, cycloalkyl, aryl, alkylaryl or arylalkyl group; or two adjacent radicals R5 and R6, R6 and R7, and R7 and R8 are connected with each other in a hydrocarbon ring system. The invention also relates to a catalyst comprising the metallocene complex, to a process for making polyolefins and to the use of the polyolefins for making articles.

  本发明涉及一种符合式 I 或式 II 的茂金属络合物，其中 M 是选自镧系元素或元素周期系第 3、4、5 或 6 族过渡金属的金属，Q 是 M 的阴离子配位体，k 是 Q 基团的数目，等于 M 的化合价减 2，R 是二价桥基，R1、R2、R3 和 R4 各自独立地选自氢 (H)、卤素原子、硅烷基、烷基、环烷基、芳基、烷芳基或芳烷基；以及 R5、R6、R7 和 R8 各自独立地选自氢 (H)、卤素原子、硅烷基、烷基、环烷基、芳基、烷芳基或芳烷基；卤素原子；硅烷基、烷基、环烷基、芳基、烷芳基或芳烷基；以及 R5、R6、R7 和 R8 各自独立地选自氢 (H)；卤素原子；硅烷基、烷基、环烷基、芳基、烷芳基或芳烷基；或两个相邻基 R5 和 R6、R6 和 R7 以及 R7 和 R8 在烃环系统中相互连接组成的组。本发明还涉及一种包含茂金属络合物的催化剂、一种制造聚烯烃的工艺以及使用聚烯烃制造物品。
• Granger; Orzalesi, Bulletin de la Societe Chimique de France, 1958, p. 986,989
  作者：Granger、Orzalesi

  DOI：——

  日期：——

表征谱图