5-amino-4-iodo-2-methylphenol | 388616-53-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-amino-4-iodo-2-methylphenol
• CAS: 388616-53-3
• 化学式: C₇H₈INO
• 分子量: 249.051
• InChiKey: WNJQYXWJLWCWTA-UHFFFAOYSA-N

物化性质

• 熔点：
  170 °C
• 沸点：
  326.1±42.0 °C(Predicted)
• 密度：
  1.938±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-amino-4-iodo-2-methylphenol 在 palladium diacetate 、 三苯基膦 、 三(邻甲基苯基)磷 、 palladium dichloride 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 4-[2-(2-amino-4-hydroxy-5-methylphenyl)ethenyl]-N-pyridin-2-ylbenzenesulfonamide
  参考文献：
  名称：

  [EN] INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION
  [FR] INHIBITEURS DE BROMODOMAINES COMME MODULATEURS D'EXPRESSION GÉNIQUE

  摘要：

  这份披露通常涉及包含一种或多种二苯乙烯、二苯乙炔和偶氮苯类似物的化合物和组合物。这些化合物对治疗与NF-kB和p53活性相关的疾病，如癌症和炎症性疾病，具有用处。

  公开号：

  WO2012116170A1
• 作为产物：
  描述：

  5-氨基-2-甲基苯酚 在 [K(18-crown-6)]ICl2 、 calcium carbonate 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以62%的产率得到5-amino-4-iodo-2-methylphenol
  参考文献：
  名称：

  Iodination of anilines and phenols with 18-crown-6 supported ICl2−

  摘要：

  高结晶性的碘化试剂{[K·18-C-6]ICl2}n以高产率（93%）合成。该三卤化物由18-冠-6大环支撑，并在固态下形成配位聚合物。该试剂在温和条件下高效碘化苯胺和酚。通过苯胺实现了可控的单碘化，而酚则观察到多碘化作用。

  DOI：

  10.1039/c0ob00926a

文献信息

• INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION
  申请人：Zhou Ming-Ming

  公开号：US20140066410A1

  公开（公告）日：2014-03-06

  This disclosure relates generally to compounds and compositions comprising one or more diphenylethylene, diphenylethylyne, and azobenzene analogs. These compounds are useful for treating diseases associated with NF-kB and p53 activity, such as cancer and inflammatory disease.

  本公开涉及一种化合物和组合物，其中包括一种或多种二苯乙烯，二苯乙炔和偶氮苯类似物。这些化合物可用于治疗与NF-kB和p53活性相关的疾病，如癌症和炎症性疾病。
• [EN] IODO-CONTAINING ORGANIC COUPLERS FOR USE IN OXIDATIVE HAIR DYEING<br/>[FR] AGENTS DE COUPLAGE ORGANIQUES CONTENANT DU IODE POUR LA COLORATION OXYDATIVE DES CHEVEUX
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2002003938A1

  公开（公告）日：2002-01-17

  A process and composition for the oxidative coloring of hair comprising reacting a primary intermediate with an iodo-containing organic coupler of the formula (I) wherein R?1, R2, R3 and R4¿ are each independently H, I, or a straight or branched chain C¿1?-C4 alkyl group optionally substituted with one or more substituents selected from OH, NH2, NHR?8, NH8, OR9¿, phenyl or a five- or six-membered heterocyclic ring containing one or two nitrogen atoms, an oxygen atom or a sulfur atom with the remainder of the ring being carbon atoms, or R?2 and R3 or R3 and R4¿ together with the carbon atoms to which they are attached may form a benzene ring or a pyridine ring which may optionally be substituted by one or more substituents selected from NH¿2?, optionally be substituted by one or more substituents selected from NH2, NHR?6, NR6R7¿, OH or OR6 with the proviso that from 1 to 3 of the R?1, R2, R3 and R4¿ substituent is I and at least one of the iodo substituents is in the ortho- or para- position to the R substituent; R is OH, NH¿2?, NHR?6 or NR6R7¿, and where R?2 and R3 or R3 and R4¿ form a benzene or pyridine ring R can be H. R?6 and R7¿ independently each being a branched or straight chain C¿1?-C4 alkyl group optionally substituted with one or more substituents selected from OH, NH2, NHR?8, NR8R9, OR8¿, phenyl, or a five- or six-membered heterocyclic ring containing one or two nitrogen atoms, an oxygen atom or a sulfur atom with the remainder of the ring being carbon atoms; and R?8 and R9¿ are each independently a straight or branched chain C¿1?-C4 alkyl group, optionally substituted with one or more substituents selected from OH, OCH3 and NH2.