2,4-二甲基噻吩-3-醇 | 121144-97-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 2,4-二甲基噻吩-3-醇
• 英文名称: 2,4-dimethyl-3-hydroxythiophene
• 英文别名: Thiophene-3-ol, 2,4-dimethyl-；2,4-dimethylthiophen-3-ol
• CAS: 121144-97-6
• 化学式: C₆H₈OS
• 分子量: 128.195
• InChiKey: HQAKWHSNHXGQPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二甲基噻吩-3-醇 、 对甲苯磺酰氯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以93%的产率得到2,4-dimethylthiophen-3-yl tosylate
  参考文献：
  名称：

  Chromatography-Free and Eco-Friendly Synthesis of Aryl Tosylates and Mesylates

  摘要：

  Two chromatography-free and eco-friendly protocols have been developed to synthesize aryl tosylates and mesylates by the tosylation and mesylation of the corresponding hydroxyarenes, respectively. These protocols are superior to other known ones regarding the simplicity, reaction time and conditions, the range of substrates, yields, and environmental friendliness.

  DOI：

  10.1055/s-0034-1378867

文献信息

• [EN] PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY<br/>[FR] COMPOSÉS DE PIPÉRIDINOBENZODIAZÉPINE AYANT UNE ACTIVITÉ ANTI-PROLIFÉRATIVE
  申请人：FEMTOGENIX LTD

  公开号：WO2017032983A1

  公开（公告）日：2017-03-02

  The invention relates to pyrridinobenzodiazepines (PDDs) comprising three fused 6-7-6-membered rings linked to aromatic groups, and pharmaceutically acceptable salts thereof, which are useful as medicaments, such as anti-proliferative agents. PDDs may be represented by formula (I): and salts and solvates thereof, wherein the dotted lines indicates the optional presence of a double bond between one or more of Ci and C2, C2and C3, and C3and C4; R1 and R2 are substituent groups; R3 is selected from H, C1-12 alkyl and CH2Ph; R4is selected from phenyl and C5-9heteroaryl groups optionally substituted, with the proviso that the optionally substituted C5-9heteroaryl is not indolyl; R19is selected from H and (CH2)t-NR20R21; Yiis N or CH; Y2 is N or CH; and wherein at least one of Y1and Y2 is CH; p is o or1; X1 is a connecting group; L is a linker group; X2 is a connecting group or is absent; q is selected from o,1, 2, 3,4,5and 6; A is selected from: for each Ai group one of Y3and Y4is selected from N-R17,S and O; and the other of Y3and Y4is CH; and Y5is selected from CH, N, S and COH; for each A2group one of Y6and Y7is independently selected from N and CH; and the other of Y6and Y7is CH; R13, R14, R17, R2oand R2iare independently selected from H and C1-6alkyl; and either: (i) R5and R6together form a double bond; (ii) R5is H and R6is OH; or (iii) R5is H and R6is OC1-6alkyl; with the proviso that when p is o and A is Ai, then: (a) for at least one Ai group one of Y3and Y4is selected from S and O; or (b) for at least one Ai group Y5is S; or (c) R4is not pyrrolyl, imidazolyl, optionally substituted pyrrolyl or optionally substituted imidazolyl.

  该发明涉及含有与芳香族基团连接的三个融合的6-7-6环的吡啶苯二氮䓬（PDDs）及其药学上可接受的盐，这些化合物可用作药物，如抗增殖剂。 PDDs可以用公式（I）表示：及其盐和溶剂化合物，其中虚线表示Ci和C2，C2和C3以及C3和C4中的一个或多个之间的双键的可选存在；R1和R2是取代基；R3从H，C1-12烷基和CH2Ph中选择；R4从苯基和C5-9杂环基团中选择，可选择地取代，但有条件的是可选择地取代的C5-9杂环基团不是吲哚基；R19从H和（CH2）t-NR20R21中选择；Yi是N或CH；Y2是N或CH；其中Y1和Y2中至少一个是CH；p是o或1；X1是连接基团；L是连接基团；X2是连接基团或不存在；q从o，1，2，3，4，5和6中选择；A从以下中选择：对于每个Ai基团，Y3和Y4中的一个从N-R17，S和O中选择；另一个从CH中选择；Y5从CH，N，S和COH中选择；对于每个A2基团，Y6和Y7中的一个独立地从N和CH中选择；另一个是CH；R13，R14，R17，R2o和R2i独立地从H和C1-6烷基中选择；并且：（i）R5和R6一起形成双键；（ii）R5是H，R6是OH；或（iii）R5是H，R6是OC1-6烷基；但有条件的是当p是o且A是Ai时，那么：（a）对于至少一个Ai基团，Y3和Y4中的一个从S和O中选择；或（b）对于至少一个Ai基团，Y5是S；或（c）R4不是吡咯基，咪唑基，可选择地取代的吡咯基或可选择地取代的咪唑基。
• DNA-BINDING POLYMERS
  申请人：Dervan Peter B.

  公开号：US20090155202A1

  公开（公告）日：2009-06-18

  Methods and compositions are provided for forming complexes between dsDNA and novel DNA-binding polymers comprising N-terminal thiophene-containing moieties which exhibit selectivity for T-A base pairs. By appropriate choice of target sequences and DNA-binding polymers, complexes comprising polymer-DNA are obtained with high association constants. The formation of complexes can be used for identification of specific dsDNA sequences, for inhibiting gene transcription, and as a therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific genes.

  提供了一种形成双链DNA与含有N-末端噻吩基团的新型DNA结合聚合物之间的复合物的方法和组合物，这些聚合物对T-A碱基对具有选择性。通过适当选择目标序列和DNA结合聚合物，可以获得具有高结合常数的聚合物-DNA复合物。这些复合物的形成可用于特定双链DNA序列的识别，用于抑制基因转录，以及作为抑制不需要的细胞增殖或调控特定基因表达的治疗方法。
• Substituted herbicide tetrazolinonecarboxylic acid amides
  申请人：BASF Aktiengesellschaft

  公开号：US06277790B1

  公开（公告）日：2001-08-21

  Tetrazolinonecarboxamides of formula I wherein Het is oxetan-3-yl, thietan-3-yl, tetrahydrofuran-3-yl, furan-3-yl, tetrahydrothiophen-3-yl, thiophen-3-yl, tetrahydro-2H-pyran-3-yl, tetrahydro-2H-thiopyran-3-yl, tetrahydro-2H-pyran-4-yl or tetrahydro-2H-thiopyran-4-yl, in each case with or without substitution; R1 is optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, phenyl, or 3- to 7-membered heterocyclyl; R2 is hydrogen, alkyl, haloalkyl, alkenyl, haloalkenyl, alkynyl, or is optionally substituted cycloalkyl, cycloalkylalkyl, phenyl, phenylalkyl, 3- to 7-membered heterocyclyl, or 3- to 7-membered heterocyclylalkyl, their preparation and herbicidal compositions comprising them.

  公式I中的Tetrazolinonecarboxamides，其中Het为氧杂环丙烷-3-基，硫杂环丙烷-3-基，四氢呋喃-3-基，呋喃-3-基，四氢噻吩-3-基，噻吩-3-基，四氢-2H-吡喃-3-基，四氢-2H-硫代吡喃-3-基，四氢-2H-吡喃-4-基或四氢-2H-硫代吡喃-4-基，在每种情况下都可以带或不带取代基；R1为可选取代基的烷基，烯基，炔基，环烷基，环烯基，苯基或3-到7-成员杂环基；R2为氢，烷基，卤代烷基，烯基，卤代烯基，炔基，或者是可选取代的环烷基，环烷基烷基，苯基，苯基烷基，3-到7-成员杂环基或3-到7-成员杂环基烷基，其制备方法和包含它们的除草剂组合物。
• Thiophen compounds and their preparation
  申请人：SANDOZ AG

  公开号：EP0296463A2

  公开（公告）日：1988-12-28

  Processes for the preparation of N-(2,4-dimethylthien-3-yl)-N-(1-­methoxyprop-2-yl)-chloroacetamide and of intermediates thereof, and novel intermediates useful for the preparation of N-(2,4-dimethylthien-­3-yl)-N-(1-methoxyprop-2-yl)-chloroacetamide.

  N-(2,4-二甲基噻吩-3-基)-N-(1-甲氧基丙-2-基)-氯乙酰胺及其中间体的制备方法，以及用于制备 N-(2,4-二甲基噻吩-3-基)-N-(1-甲氧基丙-2-基)-氯乙酰胺的新型中间体。
• US5457085A
  申请人：——

  公开号：US5457085A

  公开（公告）日：1995-10-10