m-hydroxyethynyl benzene | 104170-24-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: m-hydroxyethynyl benzene
• 英文别名: phenylynol；hydroxyphenylacetylene；hydroxyphenyl-acetylene；2-phenylethynol
• CAS: 104170-24-3
• 化学式: C₈H₆O
• 分子量: 118.135
• InChiKey: YQAWCLBKYKTVHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  m-hydroxyethynyl benzene 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 phenylketene
  参考文献：
  名称：

  Wagner, Brian D.; Zgierski, Marek Z.; Lusztyk, Janusz, Journal of the American Chemical Society, 1994, vol. 116, # 14, p. 6433 - 6434

  摘要：

  DOI：
• 作为产物：
  描述：

  2-hydroxy-3-phenylcyclopropenone 以 甲醇 为溶剂， 生成 m-hydroxyethynyl benzene
  参考文献：
  名称：

  高效的三键光化学生成：环戊烯酮的合成，性质和光脱羰基。

  摘要：

  烷基，芳基和杂原子取代的环丙烯酮的UV照射导致一氧化碳损失并形成相应炔烃的定量收率。光化学脱羰反应的量子产率从烷基取代的环丙烯酮的20％到30％到二苯基和二萘基环戊烯酮的70％以上。通过使用激光闪光光解法观察到该反应中中间体迅速形成（<5 ns），然后稍微慢一些（约40 ns）衰变。DFT计算使我们能够将这种中间体鉴定为由环丙烯酮环的碳-碳键之一裂解形成的两性离子物质。后者然后迅速损失一氧化碳以产生最终的炔属产物。尽管它们的光反应性很高，除羟基和甲氧基取代的环丙烯酮外，发现环丙烯酮是热稳定的化合物。后者甚至在室温下也能在羟基溶剂中进行快速溶剂分解。该反应对苯二炔结构原位生成的应用通过苯并二烯化的苯二炔12的光化学制备进行了说明。

  DOI：

  10.1021/jo034869m

文献信息

• [EN] FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS THIAZOLE ET THIOPHÈNE FUSIONNÉS COMME INHIBITEURS DE KINASE
  申请人：UCB PHARMA SA

  公开号：WO2009071895A1

  公开（公告）日：2009-06-11

  A series of fused bicyclic thiazole and thiophene derivatives which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, and in the 4-position by hydroxy, oxo or an amine moiety, being selective inhibitors of PI3 kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions. (I)

  一系列在2位被一个可选择取代的吗啡啉-4-基团取代，并在4位被羟基、酮基或胺基团取代的融合双环噻唑和噻吩衍生物，作为选择性PI3激酶酶抑制剂，在医学上具有益处，例如在治疗炎症、自身免疫、心血管、神经退行性、代谢、肿瘤、疼痛或眼科疾病方面。（I）
• [EN] TRICYCLIC KINASE INHIBITORS<br/>[FR] INHIBITEURS TRICYCLIQUES DE KINASE
  申请人：UCB PHARMA SA

  公开号：WO2009071890A1

  公开（公告）日：2009-06-11

  A series of fused tricyclic thiazole and thiophene derivatives which are substituted in the 2-position of the thiazole or thiophene ring by an optionally substituted morpholin-4-yl moiety, being selective inhibitors of PI3 kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.

  一系列融合的三环噻唑和噻吩衍生物，其在噻唑或噻吩环的2位被一个可选择取代的吗啡啉-4-基团取代，是选择性PI3激酶酶抑制剂，在医学上具有益处，例如在治疗炎症性、自身免疫性、心血管、神经退行性、代谢性、肿瘤学、疼痛性或眼科疾病方面。
• [EN] TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM.<br/>[FR] COMPOSÉS ORGANOMÉTALLIQUES DE TRIS(1,2,3-TRIAZOL-4-YL)MÉTHANE EN TANT QUE CATALYSEURS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：INST CATALA D INVESTIGACIO QUIMICA ICIQ

  公开号：WO2011009934A1

  公开（公告）日：2011-01-27

  Compounds of formula (I) or theirs salts, where Y is a (C1-C4)alkyl biradical and n is 1 or 0; M is Cu, Ag, Au, V, Fe, Zn, Ni, Co, Mn, Ru, or Cr; R1 is a known ring system with 1 -2 rings, isolated or fused; each ring having 5-6 members independently selected from C, N, O, S, CH, CH2, and NH, the rings being saturated, partially unsaturated or aromatic, and optionally being substituted by at least one radical selected: halogen, nitro, cyano, (C1-C4)alkyl, halo-(C1-C4)alkyl, -O-(C1-C4)alkyl. -CO-(C1-C4)alkyl, - COO-(C1-C4)alkyl, -OC(O)-(C1-C4)alkyl, -C(O)NR4R5, -(C1-C4)alkyl-NR4R5, -S- (C1-C4)alkyl, -SO-(C1-C4)alkyl, -SO2-(C1-C4)alkyl, -NHSO2-(C1-C4)alkyl, -SO2- NR4R5, and -NR4R5; R2 is -OR3, wherein R3 is selected from the group consisting of hydrogen, benzyl, and an hydroxyl protective group, or a polymeric support, optionally including a linker; and R4 and R5 are independently H, (C1-C4)alkyl, (C2-C4)alkenyl, or (C2-C4)alkynyl, optionally substituted by at least one radical selected from halogen, nitro, cyano, and amino; are useful as catalyst, in particular, in a process for the preparation of substituted 1,2,3-triazoles.

  式(I)的化合物或其盐，其中Y是(C1-C4)烷基双基团，n为1或0；M为Cu、Ag、Au、V、Fe、Zn、Ni、Co、Mn、Ru或Cr；R1是已知的含有1-2个环的环系统，孤立或融合；每个环都有5-6个成员，独立地选自C、N、O、S、CH、CH2和NH，这些环是饱和的、部分不饱和的或芳香的，并且可以选择地被至少一个基团取代：卤素、硝基、氰基、(C1-C4)烷基、卤代(C1-C4)烷基、-O-(C1-C4)烷基、-CO-(C1-C4)烷基、-COO-(C1-C4)烷基、-OC(O)-(C1-C4)烷基、-C(O)NR4R5、-(C1-C4)烷基-NR4R5、-S-(C1-C4)烷基、-SO-(C1-C4)烷基、-SO2-(C1-C4)烷基、-NHSO2-(C1-C4)烷基、-SO2-NR4R5和-NR4R5；R2是-OR3，其中R3选自氢、苄基和一个羟基保护基，或者是一个聚合物支持体，可选地包括一个连接剂；R4和R5独立地是H、(C1-C4)烷基、(C2-C4)烯基或(C2-C4)炔基，可以选择地被至少一个基团取代，所述基团选自卤素、硝基、氰基和氨基；这些化合物在催化剂中很有用，特别是在制备取代1,2,3-三唑的过程中。
• CYCLOADDITION OF AZIDES AND ALKYNES
  申请人：Nolan Steven P.

  公开号：US20090069569A1

  公开（公告）日：2009-03-12

  This invention provides a process which comprises contacting, in a reaction zone, at least one organic azide, at least one alkyne, and at least one N-heterocyclic carbene copper compound in which the ligands are either (i) a halide and an N-heterocyclic carbene or (ii) two N-heterocyclic carbenes and a BF 4 − or PF 6 − anion, to form a 1,2,3-triazole in which at least the 1 and 4 positions each has a substituent. The N-heterocyclic carbene either an imidazol-2-ylidene in which the 1 and the 3 positions each has a substituent which has at least one carbon atom, or a 4,5-dihydro-imidazol-2-ylidene in which the 1 and the 3 positions each has a substituent which has at least one carbon atom.

  这项发明提供了一种方法，其中包括在反应区域中接触至少一种有机叠氮化合物、至少一种炔烃以及至少一种N-杂环卡宾铜化合物，其中配体可以是（i）一种卤素和一种N-杂环卡宾，或者（ii）两种N-杂环卡宾和一个BF4−或PF6−阴离子，以形成一种1,2,3-三唑，其中至少1和4位置各具有一个取代基。N-杂环卡宾可以是1,3位置各具有至少一个碳原子的咪唑-2-基卡宾，或者是1,3位置各具有至少一个碳原子的4,5-二氢咪唑-2-基卡宾。
• [EN] CARBOSTYRIL COMPOUND<br/>[FR] DÉRIVÉ DE CARBOSTYRILE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2006035954A1

  公开（公告）日：2006-04-06

  The present invention provides a carbostyril compound represented by General Formula (1) or a salt thereof, wherein A is a direct bond, a lower alkylene group, or a lower alkylidene group; X is an oxygen atom or a sulfur atom; R4 and R5 each represent a hydrogen atom; the bond between the 3 and 4 positions of the carbostyril skeleton is a single bond or a double bond; R1 is a hydrogen atom, etc; R2 is a hydrogen atom, etc; and R3 is a hydrogen atom, etc. The carbostyril compound or salt thereof of the present invention induces the production of TFF, and thus is usable for the treatment and/or prevention of disorders such as alimentary tract diseases, oral diseases, upper respiratory tract diseases, respiratory tract diseases, eye diseases, cancers, and wounds.

  本发明提供了一种由通式（1）表示的羧基吲哚化合物或其盐，其中A是直链键、较低的烷基烯基或较低的烷基亚烯基；X是氧原子或硫原子；R4和R5分别表示氢原子；羧基吲哚骨架的3和4位置之间的键是单键或双键；R1是氢原子，等等；R2是氢原子，等等；R3是氢原子，等等。本发明的羧基吲哚化合物或其盐诱导TFF的产生，因此可用于治疗和/或预防消化道疾病、口腔疾病、上呼吸道疾病、呼吸道疾病、眼部疾病、癌症和伤口等疾病。