乙基甲基茚满 | 60584-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 乙基甲基茚满
• 英文名称: ethylmethyl indane
• 英文别名: 1-n-propylindan；1-propylindane；propyl indan；propylindane acid；1-propyl-2,3-dihydro-1H-indene
• CAS: 60584-82-9；137823-75-7；137823-76-8
• 化学式: C₁₂H₁₆
• 分子量: 160.259
• InChiKey: DYCGOFGOWDKOKT-UHFFFAOYSA-N

物化性质

• 沸点：
  233.9±10.0 °C(Predicted)
• 密度：
  0.928±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-n-propyl-3H-indene 在 platinum(IV) oxide 氢气 作用下， 以 四氢呋喃 为溶剂， 以84%的产率得到乙基甲基茚满
  参考文献：
  名称：

  Synthesis of biological markers in fossil fuels. 2. Synthesis and carbon-13 NMR studies of substituted indans and tetralins

  摘要：

  DOI：

  10.1021/jo00196a024

文献信息

• Hydrocracking of Acenaphthene over a Sulfided Ni–Mo/Al₂O₃Catalyst
  作者：Yasuo Miki、Yoshikazu Sugimoto

  DOI：10.1246/bcsj.68.723

  日期：1995.3

  The selectivity of ring opening was investigated for the hydrocracking of acenaphthene under an initial hydrogen pressure of 6 MPa and in the temperature range from 390 to 450 °C. Major products were classified into the following six components: tetrahydroacenaphthylene, hexahydroacenaphthylene, perhydroacenaphthylene, ring opening products (bicyclic compounds and monocyclic compounds), alkylation products (tricyclic compounds of C13 or larger), and dimerization products (biacenaphthene and their hydrogenated compounds). Ring opening of acenaphthene proceeded via two routes: the direct ring opening of acenaphthene and ring opening after hydrogenation to hexahydroacenaphthylene. In the former reaction only 1-ethylnaphthalene was produced, while 1,8-dimethylnaphthalene and its hydrogenated products were not observed. In the latter reaction, on the other hand, two types of ring opening of a C–C bond adjacent to the benzene ring, the opening of a saturated five-membered ring to produce 1-ethyltetralin and the opening of a saturated six-membered ring to produce 1-propylindane, were observed.

  在初始氢压为6 MPa、温度为390至450 °C的条件下，对环烷烃加氢裂解的环开环选择性进行了研究。主要产物分为以下六类：四氢苊烯、六氢苊烯、全氢苊烯、环开环产物（双环化合物和单环化合物）、烷基化产物（C13或更大的三环化合物）和二聚产物（双苊烯及其氢化物）。苊烯的环开环反应通过两种途径进行：苊烯的直接环开环和氢化后环开环生成六氢苊烯。在前一种反应中，只生成1-乙基萘，而1,8-二甲基萘及其氢化产物则没有观察到。在后一种反应中，则观察到了两种类型的环开环反应，即与苯环相邻的C-C键的开环，饱和五元环的开环生成1-乙基四氢萘，以及饱和六元环的开环生成1-丙基茚。
• INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Duan Jingwu

  公开号：US20090325961A1

  公开（公告）日：2009-12-31

  Novel non-steroidal compounds are provided that are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases having the structure of formula (I): or enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, where X is A 1 QA 2 -; Q is a bond, —C(═O)—, —OC(O)—, —C(═O)NR 5 —, —SO p —, —SO p NR 5 —, —C(O)O—, —NR 5 C(O)—, —OC(O)NR 5 —, —NR 5 C(O)O—, —S(O) p NR 5 C(O)—, —C(O)NR 5 S(O) p — —NR 5 S(O) p —, or —NR 5 C(═O)NR 6 —. Y is selected from hydrogen, C 1-6 alkyl, OR 16 , substituted C 1-6 alkyl, cycloalkyl, aryl, heterocyclo and heteroaryl. A 1 and A 2 are independently selected from a bond, C 1-3 alkylene, or C 1-3 alkenylene, and R 1 -R 11 are defined herein. Also provided are pharmaceutical compositions, combinations, and methods of treating obesity, diabetes and inflammatory- or immune-associated diseases comprising said compounds.

  本发明提供了一些新型非类固醇化合物，其可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节有关的疾病，包括肥胖症、糖尿病、炎症和免疫性疾病，其结构式为(I)：或其对映异构体、顺异构体或药学上可接受的盐或水合物，其中X为A1QA2-；Q为键，—C（═O）—，—OC（O）—，—C（═O）NR5—，—SOp—，—SOpNR5—，—C（O）O—，—NR5C（O）—，—OC（O）NR5—，—NR5C（O）O—，—S（O）pNR5C（O）—，—C（O）NR5S（O）p—，—NR5S（O）p—或—NR5C（═O）NR6—。Y选自氢、C1-6烷基、OR16、取代的C1-6烷基、环烷基、芳基、杂环烷基和杂环芳基。A1和A2独立地选自键、C1-3烷基或C1-3烯基，R1-R11在此定义。还提供了包含上述化合物的药物组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法。
• Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof
  申请人：Duan Jingwu

  公开号：US20070185056A1

  公开（公告）日：2007-08-09

  Novel non-steroidal compounds are provided that are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases having the structure of formula (I): or enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, where X is -A 1 QA 2 -; Q is a bond, —C(═O)—, —OC(O)—, —C(═O)NR 5 —, —SO p —, —SO p NR 5 —, —C(O)O—, —NR 5 C(O)—, —OC(O)NR 5 —, —NR 5 C(O)O—, —S(O) p NR 5 C(O)—, —C(O)NR 5 S(O) p — —NR 5 S(O) p —, or —NR 5 C(═O)NR 6 —. Y is selected from hydrogen, C 1-4 alkyl, OR 16 , substituted C 1-6 alkyl, cycloalkyl, aryl, heterocyclo and heteroaryl. A 1 and A 2 are independently selected from a bond, C 1-3 alkylene, or C 1-3 alkenylene, and R 1 -R 11 are defined herein. Also provided are pharmaceutical compositions, combinations, and methods of treating obesity, diabetes and inflammatory- or immune-associated diseases comprising said compounds.

  提供了一些新型非类固醇化合物，其在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节有关的疾病中具有用处，包括肥胖症、糖尿病、炎症和免疫性疾病，其结构式为（I）：或其对映异构体、顺异构体、药学上可接受的盐或水合物，其中X为-A1QA2-；Q为键，—C（═O）—，—OC（O）—，—C（═O）NR5—，—SOp—，—SOpNR5—，—C（O）O—，—NR5C（O）—，—OC（O）NR5—，—NR5C（O）O—，—S（O）pNR5C（O）—，—C（O）NR5S（O）p—，—NR5S（O）p—或—NR5C（═O）NR6—。Y选择自氢、C1-4烷基、OR16、取代的C1-6烷基、环烷基、芳基、杂环烷基和杂环芳基。A1和A2独立地选择自键、C1-3烷基或C1-3烯基，R1-R11在此定义。还提供了包含该化合物的制药组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法。
• Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof
  申请人：Bristol-Myers Squibb Company

  公开号：US07592461B2

  公开（公告）日：2009-09-22

  Novel non-steroidal compounds are provided that are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases having the structure of formula (I): or enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, where X is -A1QA2-; Q is a bond, —C(═O)—, —OC(O)—, —C(═O)NR5—, —SOp—, —SOpNR5—, —C(O)O—, —NR5C(O)—, —OC(O)NR5—, —NR5C(O)O—, —S(O)pNR5C(O)—, —C(O)NR5S(O)p— —NR5S(O)p—, or —NR5C(═O)NR6—. Y is selected from hydrogen, C1-6alkyl, OR16, substituted C1-6alkyl, cycloalkyl, aryl, heterocyclo and heteroaryl. A1 and A2 are independently selected from a bond, C1-3alkylene, or C1-3alkenylene, and R1-R11 are defined herein. Also provided are pharmaceutical compositions, combinations, and methods of treating obesity, diabetes and inflammatory- or immune-associated diseases comprising said compounds.

  本发明提供了一种新型非类固醇化合物，其可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖症、糖尿病、炎症和免疫性疾病，其结构式为（I）：或其对映体、非对映异构体或其药学上可接受的盐或水合物，其中X为-A1QA2-；Q为键，—C（═O）—，—OC（O）—，—C（═O）NR5—，—SOp—，—SOpNR5—，—C（O）O—，—NR5C（O）—，—OC（O）NR5—，—NR5C（O）O—，—S（O）pNR5C（O）—，—C（O）NR5S（O）p—，—NR5S（O）p—或—NR5C（═O）NR6—。Y选自氢，C1-6烷基，OR16，取代的C1-6烷基，环烷基，芳基，杂环烷基和杂环芳基。A1和A2分别选自键，C1-3烷基，或C1-3烯基，R1-R11在此定义。还提供了包含所述化合物的制药组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法。
• Olefins Turned Alkylating Agents:  Diastereoselective Intramolecular Zr-Catalyzed Olefin Alkylations
  作者：Richard R. Cesati、Judith de Armas、Amir H. Hoveyda

  DOI：10.1021/ol017090c

  日期：2002.2.1

  The first examples of intramolecular Zr-catalyzed electrophilic alkylation of aryl olefins are disclosed. Substituted carbo- and heterocycles are prepared efficiently and diastereoselectively.

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