2-氯-4-羟基-5-甲氧基苯甲醛 | 18268-76-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氯-4-羟基-5-甲氧基苯甲醛
• 英文名称: 6-chlorovaniline
• 英文别名: 6-monochlorovanillin；6-Chlorovanillin；6-chlorovanilin；2-chloro-4-hydroxy-5-methoxy-benzaldehyde；2-Chlor-4-hydroxy-5-methoxy-benzaldehyd；2-chloro-4-hydroxy-5-methoxybenzaldehyde
• CAS: 18268-76-3
• 化学式: C₈H₇ClO₃
• mdl: MFCD02379943
• 分子量: 186.595
• InChiKey: ZOKLABLCKDZYOP-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168 °C
• 沸点：
  307.2±37.0 °C(Predicted)
• 密度：
  1.377±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（轻微，超声处理），DMSO（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2913000090

制备方法与用途

生物活性化合物6-氯 vanilla 酚在Ontario及其他地区的漂白卡夫纸浆厂废水中被检测到。

反应信息

• 作为反应物：
  描述：

  2-氯-4-羟基-5-甲氧基苯甲醛 在 氯仿 、 氯 作用下， 生成 5,6-二氯香兰素
  参考文献：
  名称：

  THE CHLORINE DERIVATIVES OF VANILLIN AND SOME OF THEIR REACTIONS

  摘要：

  DOI：

  10.1021/ja01374a061
• 作为产物：
  描述：

  6-Chlorovanillin acetate 在 sodium methylate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 49.0h， 生成 2-氯-4-羟基-5-甲氧基苯甲醛
  参考文献：
  名称：

  Preparation and properties of chlorinated syringic acids, acetosyringones, acetoguaiacones and methoxy-p-hydroquinones — components of pulp bleaching effluents

  摘要：

  A range of chlorinated phenols which serve as standards for compounds occurring in effluents from the bleaching of wood pulps with chlorine-containing reagents has been prepared. The chlorinated phenols include chlorosyringic acids, chloroacetosyringones, chloroacetoguaiacones, 5-chloro-2-methoxy-p-hydroquinone and chloro-2,6-dimethoxy-p-hydroquinones. With the exception of the ring-chlorinated acetoguaiacones which were prepared by reaction of chlorovanillin acetates with diazomethane, the compounds were obtained by direct chlorination of appropriate phenols or their acetates. Gas chromatographic and mass spectrometric data for the acetylated phenols are given.

  DOI：

  10.1016/0045-6535(94)00377-7

文献信息

• Method for producing alkoxy-hydroxybenzaldehyde that is substantially free of alkyl-alkoxy-hydroxybenzaldehyde
  申请人：RHODIA OPERATIONS

  公开号：US20150203428A1

  公开（公告）日：2015-07-23

  The invention relates to a method for producing at least one alkoxy-hydroxybenzaldehyde (AHBA) from at least one hydroxyphenol (HP), said method being characterised in that it comprises the formation of at least one alkoxyphenol (AP) and alkyl-alkoxyphenol (AAP) and the separation (S) of AP from AAP, said separation (S) being carried out prior to obtaining AHBA.

  该发明涉及一种从至少一种羟基苯酚（HP）生产至少一种烷氧基-羟基苯甲醛（AHBA）的方法，其特征在于包括形成至少一种烷氧基苯酚（AP）和烷基烷氧基苯酚（AAP），并将AP与AAP分离（S），所述分离（S）在获得AHBA之前进行。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20080221148A1

  公开（公告）日：2008-09-11

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  本文描述了对蛋白激酶活性有作用的化合物，以及使用这些化合物治疗与蛋白激酶异常活性相关的疾病和病情的方法。
• PYRAZOLO-HETEROARYL COMPOUNDS
  申请人：Revesz Lászlo

  公开号：US20090258874A1

  公开（公告）日：2009-10-15

  A compound of formula I wherein the groups R1-R4, X and Y are as defined in the specification, useful to treat TNF-Alpha and IL-1 mediated diseases.

  化合物I的公式为其中R1-R4，X和Y的基团如规范中所定义，可用于治疗TNF-Alpha和IL-1介导的疾病。
• Compounds and methods for kinase modulation, and indications therefor
  申请人：Plexxikon, Inc.

  公开号：US07872018B2

  公开（公告）日：2011-01-18

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  描述了对蛋白激酶活性起作用的化合物，以及使用这些化合物治疗与蛋白激酶异常活性相关的疾病和病症的方法。
• PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER
  申请人：Hasuoka Atsushi

  公开号：US20120196864A1

  公开（公告）日：2012-08-02

  A compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof has a superior activity as an estrogen-related receptor-α modulator, and is useful as a prophylactic or therapeutic agent for cancer.

  化合物的化学式为（I）：其中每个符号如规范中所述，或其盐具有优越的活性作为雌激素相关受体-α调节剂，并且可用作预防或治疗癌症的药物。