2,4-dichloro-5-methoxy-3-methylphenol | 160582-64-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4-dichloro-5-methoxy-3-methylphenol
• 英文别名: 2.6-Dichlor-5-hydroxy-3-methoxy-toluol；2,4-Dichlor-5-methoxy-3-methyl-phenol；Methyl-(2.4-dichlor-5-hydroxy-3-methyl-phenyl)-aether
• CAS: 160582-64-9
• 化学式: C₈H₈Cl₂O₂
• 分子量: 207.056
• InChiKey: BEJFXQVWJCUACE-UHFFFAOYSA-N

物化性质

• 沸点：
  301.1±37.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-dichloro-5-methoxy-3-methylphenol 在 palladium diacetate 4-二甲氨基吡啶 、 1,3-双(二苯基膦)丙烷 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， -78.0~70.0 ℃ 、101.33 kPa 条件下， 反应 25.33h， 生成 methyl 2,4-dichloro-5-methoxy-3-methylbenzoate
  参考文献：
  名称：

  Synthesis and QSAR of substituted 3-hydroxyanthranilic acid derivatives as inhibitors of 3-hydroxyanthranilic acid dioxygenase (3-HAO)

  摘要：

  DOI：

  10.1016/s0223-5234(99)00220-2
• 作为产物：
  描述：

  3,5-dichloro-2,6-dimethoxy-4-methyl-benzoic acid methyl ester 在 sodium hydroxide 、 硫酸 作用下， 生成 2,4-dichloro-5-methoxy-3-methylphenol
  参考文献：
  名称：

  62.蓖麻酚，对-熊果酸和间苯三酚羧酸的甲基醚的卤素衍生物

  摘要：

  DOI：

  10.1039/jr9390000280

文献信息

• [EN] HETEROARYL COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLE ET UTILISATIONS ASSOCIÉES
  申请人：CELGENE AVILOMICS RES INC

  公开号：WO2014144737A1

  公开（公告）日：2014-09-18

  The present invention relates to compounds useful as inhibitors of protein kinases, containing a cysteine residue in the ATP binding site. The invention further provides for pharmaceutically acceptable compositions comprising therapeutically effective amounts of one or more of the protein kinase inhibitor compounds and methods of using said compositions in the treatment of cancers and carcinomas.

  本发明涉及作为蛋白激酶抑制剂的化合物，这些化合物在ATP结合位点包含一个半胱氨酸残基。该发明还提供了包含一种或多种蛋白激酶抑制剂化合物的药用可接受组合物，以及使用所述组合物治疗癌症和癌的方法。
• Derivatives of m-Guaiacol, Their Preparation and Their Uses
  申请人：Universite de Caen Normandie

  公开号：US20210337789A1

  公开（公告）日：2021-11-04

  The invention concerns derivatives of m-guaiacol, their preparation and their uses as biocides, in particular as antibacterials or disinfectants.

  这项发明涉及对m-石碱酚衍生物的制备及其用途，特别是作为抗菌剂或消毒剂。
• 3-hydroxy anthanilic acid derivatives
  申请人：The University of Maryland

  公开号：US05661183A1

  公开（公告）日：1997-08-26

  The present invention relates to novel derivatives of 3-hydroxyanthranilic acid, 3-HANA of general formula (I), wherein R.sup.1 and R.sup.2 are the same or different and selected from H and alkyl; X is selected from alkylthio, arylthio, aryloxy, halogen and cyano; R.sup.3, R.sup.4 are the same or different and selected from halogen, methyl, fluoroalkyl, cyano and Z-R.sup.5 wherein Z is selected from CH.sub.n, NH.sub.m, O, S, SO.sub.2 and CO wherein n=1 or 2; m=0 or 1 and R.sup.5 is selected from alkyl, aryl and fluoroalkyl; or R.sup.3 and R.sup.4 together form a saturated or unsaturated ring system Y-V-Z wherein Y and Z, independently of each other, are as defined for Z above and V is selected from C.sub.1 -C.sub.3 alkylene or alkenylene, --N.dbd., --N.dbd.N-- and (a), wherein R.sub.7 .dbd.H or alkyl; or a pharmaceutically acceptable salt thereof, methods and intermediates for their preparation, novel pharmaceutical compositions and the use thereof for inhibiting the enzyme 3-hydroxy-anthranilate oxygenase, 3-HAO, responsible for the production of the endogenous neurotoxin quinolinic acid, QUIN.

  本发明涉及一种新颖的3-羟基蒽醌酸衍生物，通式（I）的3-HANA，其中R.sup.1和R.sup.2相同或不同，并且选择自H和烷基；X选择自烷硫基，芳硫基，芳氧基，卤素和氰基；R.sup.3，R.sup.4相同或不同，并选择自卤素，甲基，氟烷基，氰基和Z-R.sup.5，其中Z选择自CH.sub.n，NH.sub.m，O，S，SO.sub.2和CO，其中n=1或2；m=0或1，R.sup.5选择自烷基，芳基和氟烷基；或R.sup.3和R.sup.4一起形成饱和或不饱和环系Y-V-Z，其中Y和Z独立于彼此，并如上所定义，V选择自C.sub.1-C.sub.3 烷基或烯基，--N.dbd.，--N.dbd.N--和（a），其中R.sub.7.dbd.H或烷基；或其药学上可接受的盐，其制备方法和中间体，新颖的药物组合物及其用于抑制酶3-羟基蒽醌酸氧化酶，3-HAO，负责产生内源性神经毒素喹啉酸QUIN。
• HETEROARYL COMPOUNDS AND USES THEREOF
  申请人：CELGENE AVILOMICS RESEARCH, INC.

  公开号：US20160046634A1

  公开（公告）日：2016-02-18

  The present invention relates to compounds useful as inhibitors of protein kinases, containing a cysteine residue in the ATP binding site. The invention further provides for pharmaceutically acceptable compositions comprising therapeutically effective amounts of one or more of the protein kinase inhibitor compounds and methods of using said compositions in the treatment of cancers and carcinomas.
• US9663524B2
  申请人：——

  公开号：US9663524B2

  公开（公告）日：2017-05-30