2-氯-3,4-二甲氧基苯甲醇 | 20624-89-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-3,4-二甲氧基苯甲醇
• 中文别名: (2-氯-3,4-二甲氧基苯基)甲醇；2-氯-3,4-二甲氧基苄醇；(2-氯-3，4-二甲氧基苯基）甲醇
• 英文名称: 6-Chlor-3,4-dimethoxy-benzylalkohol
• 英文别名: (2-chloro-4,5-dimethoxy-phenyl)-methanol；(2-chloro-4,5-dimethoxyphenyl)methanol
• CAS: 20624-89-9
• 化学式: C₉H₁₁ClO₃
• 分子量: 202.638
• InChiKey: HTFJSFVZMUOTSK-UHFFFAOYSA-N

物化性质

• 熔点：
  70-72°C
• 沸点：
  310.2±37.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解。请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2909499000

反应信息

• 作为反应物：
  描述：

  2-氯-3,4-二甲氧基苯甲醇 在 三溴化磷 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 4.08h， 生成 7-[3-(benzylideneamino)methyl-4-(5'-chloro-3',4'-dimethxoybenzyloxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of gemifloxacin derivatives containing a substituted benzyloxime moiety

  摘要：

  A series of novel gemifloxacin (GMFX) derivatives containing a substituted benzyloxime moiety with remarkable improvement in lipophilicity were synthesized. The target compounds evaluated for their in vitro antibacterial activity against representative strains. Our results reveal that most of the target compounds have considerable potency against all of the tested Gram-positive strains including MRSA and MRSE (MIC: <0.008-8 mu g/mL), although they are generally less active than the references against the Gram-negative strains. In particular, compound 111 (MIC: <0.008-4 mu g/mL) was found to be 8-2048 and 2-128 times more potent than levofloxacin (LVFX) and GMFX against the Gram-positive strains, respectively. Moreover, against MRSA clinical isolates, 111 (MIC90: 1 mu g/mL) is 8-fold more active than GMFX, and 2-fold more active than GMFX and moxifloxacin against MRSE clinical isolates (MIC90: 4 mu g/mL). Crown Copyright (C) 2012 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.07.010
• 作为产物：
  描述：

  2-氯-3,4-二甲氧基苯甲醛 在 sodium tetrahydroborate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-氯-3,4-二甲氧基苯甲醇
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of gemifloxacin derivatives containing a substituted benzyloxime moiety

  摘要：

  A series of novel gemifloxacin (GMFX) derivatives containing a substituted benzyloxime moiety with remarkable improvement in lipophilicity were synthesized. The target compounds evaluated for their in vitro antibacterial activity against representative strains. Our results reveal that most of the target compounds have considerable potency against all of the tested Gram-positive strains including MRSA and MRSE (MIC: <0.008-8 mu g/mL), although they are generally less active than the references against the Gram-negative strains. In particular, compound 111 (MIC: <0.008-4 mu g/mL) was found to be 8-2048 and 2-128 times more potent than levofloxacin (LVFX) and GMFX against the Gram-positive strains, respectively. Moreover, against MRSA clinical isolates, 111 (MIC90: 1 mu g/mL) is 8-fold more active than GMFX, and 2-fold more active than GMFX and moxifloxacin against MRSE clinical isolates (MIC90: 4 mu g/mL). Crown Copyright (C) 2012 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.07.010

文献信息

• 2-Aminopurine analogs having HSP90-inhibiting activity
  申请人：Kasibhatla Rao Srinivas

  公开号：US20050113340A1

  公开（公告）日：2005-05-26

  2-Aminopurine analogs are described and demonstrated or predicted to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Method of synthesis and use of such compounds are also described and claimed.

  本文描述了2-氨基嘌呤类似物，并展示或预测其作为热休克蛋白90（HSP90）抑制剂，在治疗和预防各种HSP90介导的疾病，例如增殖性疾病方面具有实用性。还描述和声明了这些化合物的合成方法和使用方法。
• 2-Aminopurine Analogs Having HSP90-Inhibiting Activity
  申请人：Kasibhatla Rao Srinivas

  公开号：US20070185064A1

  公开（公告）日：2007-08-09

  2-Aminopurine analogs are described and demonstrated or predicted to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Method of synthesis and use of such compounds are also described and claimed.

  本文描述了2-氨基嘌呤类似物，并证明或预测其在治疗和预防各种HSP90介导的疾病（如增生性疾病）中作为HSP90抑制剂具有实用价值。还描述和声称了这种化合物的合成方法和使用方法。
• Deazapurine derivatives as HSP90-Inhibitors
  申请人：Conforma Therapeutics Corporation

  公开号：EP2145888A1

  公开（公告）日：2010-01-20

  Heterobicyclic compounds of formula I are described and demonstrated to have utility as Heat Shock Protein 90 (HSP90) inhibiting agent. Method of synthesis and use of such compounds are also described.

  描述并证明了式 I 的杂双环化合物作为热休克蛋白 90（HSP90）抑制剂的实用性。还描述了合成和使用此类化合物的方法。
• Mild catalytic reduction of C—O bonds and C═O bonds using a recyclable catalyst system
  申请人：ORGANOFUEL SWEDEN AB

  公开号：US10287226B2

  公开（公告）日：2019-05-14

  A method of reducing a C—O bond to the corresponding C—H bond in a substrate, which could be a benzylic alcohol, allylic alcohol, ester or an ether bond beta to a hydroxyl group or alpha to a carbonyl group using a recyclable metal catalyst system. The recyclable catalyst system is also applicable to reducing a C═O bond to the corresponding C—OH bond and then C—H bond. These methodologies can be linked in one-pot to selective oxidation and depolymerizations of aromatic polyols such as lignin.

  一种利用可回收金属催化剂系统将底物中的 C-O 键还原为相应的 C-H 键的方法，底物可以是苯甲醇、烯丙基醇、酯或醚键β到羟基或α到羰基。可循环催化剂系统还可用于将 C═O 键还原为相应的 C-OH 键，然后再还原为 C-H 键。这些方法可与芳香族多元醇（如木质素）的选择性氧化和解聚相连。
• WIEGREBE W.; ROHRBACH-MUNZ B.; AWE W.; KIRK O., HELV. CHIM. ACTA <HCAC-AV>, 1975, 58, NO 6, 1825-1832
  作者：WIEGREBE W.、 ROHRBACH-MUNZ B.、 AWE W.、 KIRK O.

  DOI：——

  日期：——