2-methoxy-5,5-dimethylcyclohexa-1,3-diene | 1033604-30-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methoxy-5,5-dimethylcyclohexa-1,3-diene
• 英文别名: 2-Methoxy-5,5-dimethylcyclohexa-1,3-diene
• CAS: 1033604-30-6
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: VJEYYEOKPQLVBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  2-methoxy-5,5-dimethylcyclohexa-1,3-diene 、 3,5-dimethyl-1-propynoylpyrazole 在 (S)-2-amino-3-naphthalen-2-yl-1-pyrrolidin-1-yl-propan-1-one 、 copper(II) trifluoromethanesulfonimide 4 A molecular sieve 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 5.0h， 生成 (+)-(3,5-dimethyl-1H-pyrazol-1-yl)(6-methoxy-3,3-dimethylbicyclo[4.2.0]octa-4,7-dien-7-yl)methanone 、 (-)-(3,5-dimethyl-1H-pyrazol-1-yl)(6-methoxy-3,3-dimethylbicyclo[4.2.0]octa-4,7-dien-7-yl)methanone
  参考文献：
  名称：

  Catalytic Enantioselective [2 + 4] and [2 + 2] Cycloaddition Reactions with Propiolamides

  摘要：

  We report here the catalytic and highly enantioselective [2 + 4] and [2 + 2] cycloaddition reactions of electron-rich dienes or silyl enol ethers with electron-deficient propiolamide derivatives induced by copper(II)center dot 3-(2-naphthyl)-L-alanine amide complex.

  DOI：

  10.1021/ja8015318
• 作为产物：
  描述：

  2,4,4-trimethoxy-1,1-dimethylcyclohexane 在 potassium hydrogensulfate 作用下， 以1.71 g的产率得到2-methoxy-5,5-dimethylcyclohexa-1,3-diene
  参考文献：
  名称：

  Catalytic Enantioselective [2 + 4] and [2 + 2] Cycloaddition Reactions with Propiolamides

  摘要：

  We report here the catalytic and highly enantioselective [2 + 4] and [2 + 2] cycloaddition reactions of electron-rich dienes or silyl enol ethers with electron-deficient propiolamide derivatives induced by copper(II)center dot 3-(2-naphthyl)-L-alanine amide complex.

  DOI：

  10.1021/ja8015318

文献信息

• Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl
  申请人：Università Degli Studi Di Milano - Bicocca

  公开号：EP2161271A1

  公开（公告）日：2010-03-10

  The present invention relates to compounds of formula (I) wherein R1, R2 and R3 are as defined in the description, to their pharmaceutical compositions and use thereof for the treatment of cancer expressing oncogenic ALK protein, particularly anaplastic large cell lymphoma (ALCL), diffuse large B cell lymphoma (DLBCL), inflammatory myofibroblastic tumours (IMT) and non-small cell lung cancer (NSCLC).

  本发明涉及式(I)的化合物，其中R1、R2和R3如描述中所定义，以及它们的药物组合物及其在治疗表达癌基因ALK蛋白的癌症，特别是间变性大细胞淋巴瘤(ALCL)、弥漫性大B细胞淋巴瘤(DLBCL)、炎性肌纤维母细胞瘤(IMT)和非小细胞肺癌(NSCLC)中的用途。
• AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：EP1847525A1

  公开（公告）日：2007-10-24

  An aromatic amine derivative with a specified structure whose benzene ring is bonded with a cycloalkyl group. An organic electroluminescence device which comprises at least one organic thin film layer comprising a light emitting layer sandwiched between a pair of electrode consisting of an anode and a cathode, wherein at least one of the organic thin film layer comprises the aromatic amine derivative singly or in combination. The organic EL device employing the aromatic amine derivative reveals practically sufficient luminance even under low applied voltage, exhibits an enhanced efficiency of light emission, and is resistant to degrade even after a long time usage demonstrating a prolonged lifetime.

  一种具有特定结构的芳香胺衍生物，其苯环上键有环烷基。一种有机电致发光器件，它包括至少一个有机薄膜层，该薄膜层由夹在由阳极和阴极组成的一对电极之间的发光层组成，其中至少一个有机薄膜层单独或组合包括芳香族胺衍生物。采用芳香胺衍生物的有机电致发光器件即使在低电压下也能显示出足够的亮度，发光效率更高，即使长期使用也不易降解，使用寿命更长。
• PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF
  申请人：SANOFI

  公开号：EP2791137B1

  公开（公告）日：2019-01-23
• [EN] ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL<br/>[FR] INHIBITEURS DE NPM-ALK, RET, ET BCR-ABL À BASE D'ALPHA-CARBOLINE
  申请人：UNIV MILANO BICOCCA

  公开号：WO2010025872A2

  公开（公告）日：2010-03-11

  The present invention relates to compounds of formula (I) wherein R1, R2 and R3 are as defined in the description, to their pharmaceutical compositions and use thereof for the treatment of cancer expressing oncogenic ALK protein, particularly anaplastic large cell lymphoma (ALCL), diffuse large B cell lymphoma (DLBCL), inflammatory myofibroblastic tumours (IMT) and non-small cell lung cancer (NSCLC).