1,1-dimethyl-4-methylenecyclohexane | 6007-96-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 1,1-dimethyl-4-methylenecyclohexane
• 英文别名: 1,1-Dimethyl-4-methylidenecyclohexane
• CAS: 6007-96-1
• 化学式: C₉H₁₆
• mdl: MFCD20384596
• 分子量: 124.226
• InChiKey: PRRXIEFNGOETTR-UHFFFAOYSA-N

物化性质

• 沸点：
  139.5±7.0 °C(Predicted)
• 密度：
  0.80±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,1-dimethyl-4-methylenecyclohexane 在 六氟异丙醇 、 palladium 10% on activated carbon 、 [Cp*^CF3Rh(MeCN)₃](SbF₆)₂ 、 氢气 、 cesium acetate 作用下， 以 乙醇 为溶剂， 20.0~55.0 ℃ 、400.01 kPa 条件下， 反应 26.0h， 生成
  参考文献：
  名称：

  Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C–H Activation

  摘要：

  alpha,beta-Unsaturated - oxime pivalates are proposed to undergo reversible C(sp(2))-H insertion with cationic Rh (III) complexes to furnish five-membered metallacycles. In the presence of 1,1-disubstituted olefins, these species participate in irreversible migratory insertion to give, after reductive elimination, 2,3-dihydropyridine products in good yields. Catalytic hydrogenation can then be used to. convert these molecules into piperidines, which are important structural components of numerous pharmaceuticals.

  DOI：

  10.1021/jacs.5b04946
• 作为产物：
  描述：

  甲基三苯基溴化膦 、 4,4-二甲基环己酮 在 potassium tert-butylate 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以92%的产率得到1,1-dimethyl-4-methylenecyclohexane
  参考文献：
  名称：

  螺环丁烯的立体选择性缩合：带有正交出口向量的螺环合成的平台。

  摘要：

  螺环丁烯的非对映和对映选择性的缩孔为快速制备各种手性螺环结构单元提供了平台。产品中碳-硼键的化学选择性功能化，包括立体特异性sp 3 -sp 2 Suzuki-Miyaura交叉偶联反应，为控制螺环框架中出口载体的方向性和性质提供了强大的工具。

  DOI：

  10.1002/anie.202101445

文献信息

• Allylic sp³ C–H borylation of alkenes <i>via</i> allyl-Pd intermediates: an efficient route to allylboronates
  作者：Hong-Ping Deng、Lars Eriksson、Kálmán J. Szabó

  DOI：10.1039/c4cc04151h

  日期：——

  Palladium catalyzed allylic C-H functionalization was performed using exocyclic alkene substrates. Multi-component synthesis of stereodefined homoallylic alcohols could be performed using a reaction sequence involving allylic C-H borylation and allylation of aldehydes.

  使用环外烯烃底物进行钯催化的烯丙基CH官能化。立体定义的均烯丙基醇的多组分合成可以使用涉及烯丙基CH的硼酸化和醛的烯丙基化的反应序列来进行。
• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• 3-carbamoyl-2-pyridone derivatives
  申请人：Shionogi & Co., Ltd.

  公开号：US08178681B2

  公开（公告）日：2012-05-15

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R1 is optionally substituted C1-C8 alkyl and the like; R2 is C1-C6 alkyl; R3 is C1-C6 alkyl and the like; or R2 and R3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R5 is hydrogen and the like; X1 is a single bond and the like; X2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R6)—, wherein R6 is hydrogen and the like, and the like; X3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有类脑受体激动活性的化合物，其由式（I）所表示：其中R1是可选取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3结合在一起可以形成一个可选取代的5到10个成员的非芳香碳环；R4是氢等；G是通过式等所示的基团中选择的基团：其中R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一个或两个-O-或-N（R6）-等基团所代替，其中R6是氢等等；X3是单键等；以及含有所述化合物作为活性成分的药物学上可接受的盐或溶剂和制药组合物，特别是用于口服和外用的抗瘙痒剂和特应性皮炎治疗剂。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• Photoelectrochemical asymmetric dehydrogenative [2 + 2] cycloaddition between C–C single and double bonds via the activation of two C(sp3)–H bonds
  作者：Peng Xiong、Sergei I. Ivlev、Eric Meggers

  DOI：10.1038/s41929-023-01050-y

  日期：——

  reaction of C–C single bonds with C=C double bonds. The asymmetric photoelectrocatalysis combines photocatalysis, electrochemical redox catalysis and asymmetric catalysis. It avoids the use of chemical oxidants, exhibits excellent enantioselectivity and diastereoselectivity, reveals high functional group compatibility, and also succeeds in the simultaneous conversion of two C(sp3)–H bonds into consecutive

  有效生成与立构中心数量相关的高结构复杂性是有机合成的一个重要目标。理想情况下，从经济和可持续性的角度来看，转化应包括未活化的C( sp 3 )–H键的直接功能化。在这里，我们介绍了一种方法，该方法能够通过 C-C 单键与 C=C 双键的直接反应生成具有多达四个连续立构中心（包括全碳四元立构中心）的复杂环丁烷。不对称光电催化结合了光催化、电化学氧化还原催化和不对称催化。它避免了化学氧化剂的使用，表现出优异的对映选择性和非对映选择性，表现出高官能团相容性，并且还成功地将两个C( sp 3 )–H键同时转化为连续的碳立构中心。这项工作展示了将电化学与光化学和不对称催化相结合以经济且可持续的方式生成复杂结构的力量。