3-(chloromethyl)-1H-indene | 98978-57-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3-(chloromethyl)-1H-indene
• CAS: 98978-57-5
• 化学式: C₁₀H₉Cl
• mdl: MFCD19233852
• 分子量: 164.634
• InChiKey: PSPGOJKLAXSXSN-UHFFFAOYSA-N

物化性质

• 沸点：
  244.1±19.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  N-甲基肉桂基胺 、 3-(chloromethyl)-1H-indene 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以25%的产率得到(E)-N-methyl-N-(3-phenyl-2-propenyl)-3-indenemethanamine
  参考文献：
  名称：

  Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics

  摘要：

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.

  DOI：

  10.1021/jm00151a019
• 作为产物：
  描述：

  (1H-inden-3-yl)methanol 在 氯化亚砜 作用下， 生成 3-(chloromethyl)-1H-indene
  参考文献：
  名称：

  Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics

  摘要：

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.

  DOI：

  10.1021/jm00151a019

文献信息

• Pyrimidine-thioalkyl and alkylether compounds
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1247804A1

  公开（公告）日：2002-10-09

  The subject invention relates to pyrimidine-thioalkyl and alkylether compounds of Formula I and pyrimidine-thioalkyl and alkylethers of Formula IA, namely the compounds of Formula I where R4 is selected from the group consisting of -H or -NR15R16 where R15 is -H and R16 is -H, C1-C6 alkyl, -NH2 or R15 and R16 taken together with the -N form 1-pyrrolidino, 1-morpholino or 1-piperidino; and R6 is selected from the group consisting of -H, or halo (preferably -Cl); with the overall provisio that R4 and R6 are not both -H; The compounds of Formula IA are useful in the treatment of individuals who are HIV positive.

  该发明涉及Formula I的嘧啶硫代烷基和烷基醚化合物，以及Formula IA的嘧啶硫代烷基和烷基醚化合物，即Formula I中R4选自-H或-NR15R16的基团，其中R15为-H，R16为-H，C1-C6烷基，-NH2或R15和R16一起与-N形成1-吡咯啉基、1-吗啉基或1-哌啶基；以及R6选自-H或卤素（优选-Cl）的基团，总体规定是R4和R6不能同时为-H；Formula IA的化合物在治疗HIV阳性个体中是有用的。
• Novel Indolopyridines, Benzofuranopyridines and Benzothienopyridines
  申请人：Vennemann Matthias

  公开号：US20080114017A1

  公开（公告）日：2008-05-15

  Compounds of a certain formula (I), in which R1, R2, R3, R4, R5, R6 and X have the meanings indicated in the description, are novel effective compounds with anti-proliferative and/or apoptosis inducing activity.

  具有某个化学式（I）的化合物，其中R1、R2、R3、R4、R5、R6和X具有说明中指示的含义，是具有抗增殖和/或诱导细胞凋亡活性的新型有效化合物。
• Indolopyridines,Benzofuranopyridines and Benzothienopyridines
  申请人：Vennemann Matthias

  公开号：US20080125452A1

  公开（公告）日：2008-05-29

  Compounds of a certain formula (I), in which R1, R2, R3, R4, R5 and X have the meanings indicated in the description, are novel effective compounds with anti-proliferative and/or apoptosis inducing activity.

  具有特定化学式(I)的化合物，其中R1、R2、R3、R4、R5和X的含义如描述中所示，是具有抗增殖和/或诱导凋亡活性的新型有效化合物。
• [EN] CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT<br/>[FR] MÉLANGE DE RÉSINE DURCISSABLE, COMPOSITION DE RÉSINE DURCISSABLE ET PRODUIT DURCI<br/>[JA] 硬化性樹脂混合物、硬化性樹脂組成物及びその硬化物
  申请人：NIPPONKAYAKU KK

  公开号：WO2020031935A1

  公开（公告）日：2020-02-13

  優れた耐熱性と電気特性を有する硬化性樹脂混合物、及びその硬化性樹脂組成物を提供することを提供する。下記式（１）～式（４）で表されるシクロペンタジエン構造のうち少なくとも１種以上を有する硬化性樹脂混合物。
• Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics
  作者：Anton Stuetz、Apostolos Georgopoulos、Waltraud Granitzer、Gabor Petranyi、Daniel Berney

  DOI：10.1021/jm00151a019

  日期：1986.1

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.