1-hydroxymethylindene | 2471-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-hydroxymethylindene
• 英文别名: 3-oxymethyl-indene；3-Oxymethyl-inden；Benzofulvanol, 1-Hydroxymethylen-inden；(+/-)-1-Hydroxymethylinden；1-Hydroxymethyl-inden；1-Hydroxymethylinden；1H-Indene-1-methanol；1H-inden-1-ylmethanol
• CAS: 2471-88-7；40985-45-3
• 化学式: C₁₀H₁₀O
• 分子量: 146.189
• InChiKey: IJAXGELJFJEIDB-UHFFFAOYSA-N

物化性质

• 熔点：
  63-65 °C
• 沸点：
  136-141 °C(Press: 15 Torr)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-hydroxymethylindene 在 三正丁基氢锡 、 三溴化磷 作用下， 生成 甲茚
  参考文献：
  名称：

  Cyclopropylcarbinyl radical reactions in the cycloprop[2.3]indene system

  摘要：

  DOI：

  10.1021/jo00806a025
• 作为产物：
  描述：

  聚合甲醛 、 1-bromoindene 生成 1-hydroxymethylindene
  参考文献：
  名称：

  Huisgen,R.; Seidl,G., Chemische Berichte, 1963, vol. 96, p. 2740 - 2749

  摘要：

  DOI：

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES
  申请人：Ingrassia Laurent

  公开号：US20100076005A1

  公开（公告）日：2010-03-25

  Isocarbostyril alkaloid derivatives having an anti-proliferative and anti-migratory activities are disclosed. In particular, compounds of formula (I) or (II), as well as stereoisomers, tautomers, racemates, prodrugs, metabolites thereof, pharmaceutically acceptable salt and/or solvate are encompassed which are useful in the treatment and prophylaxis of cancer. Methods of preparation are also disclosed.

  揭示了具有抗增殖和抗迁移活性的异喹啉生物碱衍生物。具体来说，公开了符合以下化学式(I)或(II)的化合物，以及其立体异构体、互变异构体、消旋体、前药、代谢物、药学上可接受的盐和/或溶剂，这些化合物在癌症的治疗和预防中很有用。还公开了制备方法。
• Vertebral Artery Dissection and Migraine Headaches in Children
  作者：Timothy E. Lotze、Juliann Paolicchi

  DOI：10.1177/088307380001501011

  日期：2000.10

  Strokes of the posterior circulation are uncommon in childhood. In vertebrobasilar insults, vertebral artery dissection remains a rare diagnosis. We report the case of an 8-year-old boy with a history of migraine headaches who presented with acute cerebellar signs and agitation following multiple infarctions of bilateral cerebellar hemispheres. Vertebral angiography demonstrated dissection of the left vertebral artery with occlusion of the basilar artery just distal to its origin. Risk factors for vertebral artery dissection are reviewed, with emphasis on association with migraine headaches. A review of imaging studies for the diagnosis of dissection is also presented. This case demonstrates the importance of considering arterial wall dissection in pediatric patients with a history of atypical migraines associated with new neurologic findings. (J Child Neurol 2000;15:694-696).

  后循环中风在儿童中并不常见。在椎基底动脉损害中，椎动脉夹层仍然是一种罕见的诊断。我们报告了一例8岁男孩的病例，患有偏头痛症状，出现了急性小脑体征和激动，之后出现了双侧小脑半球多次梗死。椎动脉造影显示左侧椎动脉夹层，基底动脉在其起始部位稍远处被闭塞。回顾了椎动脉夹层的风险因素，重点强调与偏头痛的关联。还介绍了用于诊断夹层的影像学研究。这个病例显示了在儿童患有不典型偏头痛且出现新的神经学表现时，考虑动脉壁夹层的重要性。
• Alpha-substituted carboxylic acid derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030069294A1

  公开（公告）日：2003-04-10

  The &agr;-substituted carboxylic acid derivatives having the formula (I): 1 wherein R 1 is an alkyl group, etc., R 2 is a hydrogen atom, etc., R 3 is a hydrogen atom, etc., A is ═CH-group, etc., B is an oxygen atom, etc., W 1 is a C 1 -C 8 alkylene group, W 2 is a single bond or a C 1 -C 8 alkylene group, X is a hydrogen atom, etc., Y is an oxygen atom, etc., and Z 1 is an alkoxy group, etc., and pharmacologically acceptable salts, esters and amides thereof are useful for treatment and/or prevention of diabetes mellitus, impaired glucose tolerance, gestational diabetes mellitus, or the like. Some of the derivatives of the formula (I) are novel compounds.

  具有如下式(I)的α-取代羧酸衍生物，其中R1是烷基基团，R2是氢原子，R3是氢原子，A是═CH-基团，B是氧原子，W1是C1-C8烷基基团，W2是单键或C1-C8烷基基团，X是氢原子，Y是氧原子，Z1是烷氧基团，其药理学上可接受的盐、酯和酰胺对于治疗和/或预防糖尿病、糖耐量受损、妊娠期糖尿病等疾病是有用的。其中一些具有如上式(I)的衍生物是新化合物。
• High Anionic Polymerizability of Benzofulvene: New Exo-Methylene Hydrocarbon Monomer
  作者：Yuki Kosaka、Susumu Kawauchi、Raita Goseki、Takashi Ishizone

  DOI：10.1021/acs.macromol.5b00944

  日期：2015.7.14

  initiation efficiencies were not quantitative, BF could also be polymerized with benzylmagnesium chloride, potassium tert-butoxide, and the anionic living poly(tert-butyl methacrylate), indicating the high anionic polymerizability. The planar conformation and the polarized electron density of BF obtained by the density functional theory (DFT) calculation supported the observed anionic polymerizability higher

  苯并富勒烯（BF）的阴离子聚合反应是在-78°C下用各种引发剂（例如仲丁基锂，二苯基甲基锂，二苯基甲基钾，三苯基甲基锂和三苯基甲基钾）在THF中进行的，从而得到具有基于BF之间摩尔比的预测分子量的聚合物以及引发剂和窄分子量分布（MWD，M w / M n <1.1）。尽管起爆效率不是定量的，但BF也可以与苄基氯化镁，叔丁醇钾和阴离子活性聚叔丁基聚合-甲基丙烯酸丁酯），表明其高的阴离子聚合性。通过密度泛函理论（DFT）计算获得的BF的平面构象和极化电子密度支持观察到的阴离子聚合性高于BF的无环类似物2-苯基-1,3-丁二烯。一系列新的嵌段共聚物，聚苯乙烯-b-聚（BF），聚（2-乙烯基吡啶）-b-聚（BF）和聚（甲基丙烯酸叔丁酯）-bBF和共聚单体的顺序阴离子共聚反应合成了-poly（BF）。另一方面，没有与活性聚（BF）发生苯乙烯和2-乙烯基吡啶的聚合，表明由BF形成的正在传播的茚基阴离子