5-甲基苯-1,2,4-三醇 | 1124-09-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 5-甲基苯-1,2,4-三醇
• 中文别名: 2,4,5-三羟基甲苯
• 英文名称: 5-methyl-1,2,4-benzenetriol
• 英文别名: 2,4,5-trihydroxytoluene；2-Hydroxy-5-methyl-hydrochinon；Benzol-5-methyl-1,2,4-triol；4-Hydroxy-2,5-toluhydrochinon；1,2,4-tri-hydroxy-5-methylbenzene；1,2,4-Trihydroxy-5-methyl-benzol；1-methyl-2,4,5-trihydroxybenzene；5-methyl-benzene-1,2,4-triol；2,4,5-Trihydroxy-toluol；2.4.5-Trioxy-1-methyl-benzol；5-Methyl-benzen-1,2,4-triol；5-Methyl-oxy-hydrochinon；2.4.5-Trioxy-toluol；toluene-2,4,5-triol；5-methylbenzene-1,2,4-triol
• CAS: 1124-09-0
• 化学式: C₇H₈O₃
• 分子量: 140.139
• InChiKey: QKGQHTCUNGPCIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2907299090

反应信息

• 作为反应物：
  描述：

  5-甲基苯-1,2,4-三醇 在 三氯化铁 作用下， 生成 2-羟基-5-甲基苯醌
  参考文献：
  名称：

  The Total Synthesis of Steroids¹

  摘要：

  DOI：

  10.1021/ja01137a001
• 作为产物：
  描述：

  甲基苯醌 在 盐酸 、 甲醇 、 硫酸 作用下， 生成 5-甲基苯-1,2,4-三醇
  参考文献：
  名称：

  DE101607

  摘要：

  公开号：

文献信息

• THIOL DYES
  申请人：Eliu Victor Paul

  公开号：US20090113639A1

  公开（公告）日：2009-05-07

  Disclosed are thiol dyes of formula (1), wherein R 1 is hydrogen; C 1 -C 12 alkyl; or phenyl-C 1 -C 4 alkyl; X is C 1 -C 12 alkylene; C 2 -C 12 alkenylene; C 5 -C 10 cycloalkylene; C 5 -C 10 arylene; or C 5 -C 10 arylene-C 1 -C 10 alkylene; Y is the residue of an organic dye which corresponds to the formula (1a), wherein R 2 is hydrogen; or C 1 -C 5 alkyl; R 3 is a radical of formula (1a 1 ): (1a 2 ); or (1a 3 ); or R 2 and R 3 together with the linking carbon atom 1 C form a 6 to 10 membered carbocyclic ring which may optionally be a condensated aromatic system and may contain one or more than one hetero atom; and R 4 , R 5 and R 6 independently form each other are hydrogen, or C 1 -C 5 alkyl; Z is H; or a thio ester group of formula (1b), wherein A is O; S; or N—R9; B is —OR7; —NR7R8, or —SR7; and A is O; S; or N—R 9 ; B is —OR 7 ; —NR 7 R 8 , or —SR 7 ; and R 7 , R 8 and R 9 , independently from each other are hydrogen; C 1 -C 12 alkyl C 6 -C 12 aryl; or C 6 -C 12 aryl-C 1 -C 12 alkyl. The compounds are useful for the dyeing of organic materials, such as keratin fibers, preferably human hair.

  揭示了式（1）的硫醇染料，其中R1为氢；C1-C12烷基；或苯基-C1-C4烷基；X为C1-C12亚烷基；C2-C12烯亚烷基；C5-C10环烷基；C5-C10芳基；或C5-C10芳基-C1-C10亚烷基；Y为与式（1a）对应的有机染料的残基，其中R2为氢；或C1-C5烷基；R3为式（1a1）的基团：（1a2）；或（1a3）；或R2和R3与连接碳原子1C形成6至10成员的碳环，该碳环可以选择性地是一个缩合芳香系统，并且可以含有一个或多个杂原子；以及R4，R5和R6独立地形成彼此为氢，或C1-C5烷基；Z为H；或式（1b）的硫酯基团，其中A为O；S；或N—R9；B为—OR7；—NR7R8，或—SR7；而A为O；S；或N—R9；B为—OR7；—NR7R8，或—SR7；且R7，R8和R9，彼此独立地为氢；C1-C12烷基；C6-C12芳基；或C6-C12芳基-C1-C12烷基。这些化合物适用于有机材料的染色，例如角蛋白纤维，最好是人类头发。
• A New Entry to 1,2,4-Benzenetriol Congeners
  作者：Yutaka Ozaki、Sang-Won Kim

  DOI：10.1246/cl.1987.1199

  日期：1987.6.5

  1,2,4-Benzenetriol derivatives were efficiently prepared from annulation of α,α-bis(ethylthio)carbonyl compounds with α,β-unsaturated carbonyl compounds.

  1,2,4-苯三醇衍生物通过α,α-双(乙硫)羰基化合物与α,β-不饱和羰基化合物的环化反应高效制备。
• [EN] STYRYL SULFIDE DYES<br/>[FR] COLORANTS DE SULFURE DE STYRYLE
  申请人：BASF SE

  公开号：WO2015028543A1

  公开（公告）日：2015-03-05

  Disclosed are styryl dyes of formula (1) wherein R1, R2, R3, R'1, R'2 and R'3 independently of each other are hydrogen; -NH(CO)-C1-C5alkyl; -N(C1-C5alkyl)(C1-C5alkyl-CN); C1-C6alkoxy; a heterocyclic radical; or R1 and R2 or R'1 and R'2 together form a 5- to 10-membered, monocyclic, carbocyclic or heterocyclic ring; wherein at least one of R1, R2, R3, R'1, R'2 and R'3 is different from hydrogen; Q and Q' independently from each other are the direct bond; *-C(O)-*; *-C(O)O-*; *-OCO-*; *-N(R4)-*; (AA); *-C(O)N(R6)-*; or *-(R6)NC(O)-*; and R4, R5 and R6 independently from each other are hydrogen; C1-C14alkyl; C2-C14alkenyl; C6- C12aryl; C6-C12aryl-C1-C10alkyl; or C1-C10alkyl(C5-C12aryl); X and X' are *-(CH2)m-*; Y1 and Y2 independently from each other are C1-C10alkylene; C5-C10cycloalkylene; C5-C12arylene; or C5-C12arylene-(C1-C10alkylene); An- is an anion; m is a number from 1 to 8; n is 0, or 1; and p is 0, or 1.

  揭示了式（1）的苯基染料，其中R1、R2、R3、R'1、R'2和R'3彼此独立地为氢；-NH（CO）-C1-C5烷基；-N（C1-C5烷基）（C1-C5烷基-CN）；C1-C6烷氧基；一个杂环基；或者R1和R2或R'1和R'2一起形成一个5到10个成员的、单环的、碳环的或杂环的环；其中R1、R2、R3、R'1、R'2和R'3中至少有一个不同于氢；Q和Q'彼此独立地为直接键；*-C（O）-*；*-C（O）O-*；*-OCO-*；*-N（R4）-*；（AA）；*-C（O）N（R6）-*；或者*-(R6)NC（O）-*；而R4、R5和R6彼此独立地为氢；C1-C14烷基；C2-C14烯基；C6-C12芳基；C6-C12芳基-C1-C10烷基；或者C1-C10烷基（C5-C12芳基）；X和X'为*-(CH2)m-*；Y1和Y2彼此独立地为C1-C10烷基；C5-C10环烷基；C5-C12芳基；或者C5-C12芳基-(C1-C10烷基)；An-为阴离子；m为1至8的数字；n为0或1；p为0或1。
• IMMUNOSUPPRESSIVE COMPOUNDS
  申请人：Mesaik Muhammad A.

  公开号：US20140378515A1

  公开（公告）日：2014-12-25

  The invention feature series of benzothiazole derivatives as potent immunosuppressive and antiinflammatory agents. Eight compounds 2, 4, 5, 8, 9, 10, 12, and 18 showed potent inhibitory activity on PHA-activated T-cell proliferation. Compounds 2, 4, 8, and 18 were found to have a potent inhibitory activity with IC 50 values ranging <1.0-2.9 μg/mL against IL-2. Studies on innate immune response revealed that compounds 2, 8, 9, and 10 have significant suppressive effect on ROS production with an IC 50 values 1.9, <1, 3.7 and 1.1 μg/mL, respectively. The LPS-induced nitrites in J774 macrophages cell line was inhibited by 4, 8, 9, and 18 at a concentration of 25 μg/mL (56-91%). In addition compounds 5, 8, 12, and 18 showed potent suppression on interleukin 4 (IL-4), particularly 9 (IC 50 <1 μg/mL). No cytotoxicity was found except for compound 9 and 18 (11.4 and 10.4 μg/mL IC 50 ), respectively.

  苯并噻唑衍生物系列的发明特征作为强效免疫抑制剂和抗炎剂。八种化合物2、4、5、8、9、10、12和18表现出对PHA激活的T细胞增殖具有强效的抑制活性。发现化合物2、4、8和18在IL-2上有强效的抑制活性，IC50值范围在<1.0-2.9 μg/mL之间。对先天免疫反应的研究显示，化合物2、8、9和10对ROS产生具有显著的抑制作用，其IC50值分别为1.9、<1、3.7和1.1 μg/mL。J774巨噬细胞系中LPS诱导的亚硝酸盐在25 μg/mL浓度下被化合物4、8、9和18抑制（56-91%）。此外，化合物5、8、12和18对白细胞介素4（IL-4）表现出强效的抑制作用，尤其是9（IC50<1 μg/mL）。除了化合物9和18（分别为11.4和10.4 μg/mL的IC50），未发现细胞毒性。
• Mixture of Sulfide Dyes
  申请人：Cremer Christian

  公开号：US20090100610A1

  公开（公告）日：2009-04-23

  Disclosed are mixtures of sulfide dyes and dyeing compositions comprising mixtures of sulfide dyes. The dye mixtures are useful for the dyeing of organic materials, such as keratin fibers, preferably human hair.

  揭示了含有硫化染料混合物和含有硫化染料混合物的染料组合物。这些染料混合物适用于有机材料的染色，例如角蛋白纤维，最好是人类头发。