6-hydroxy-5-acetoxyindole | 113370-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-hydroxy-5-acetoxyindole
• 英文别名: 5-acetoxy-6-hydroxyindole；5-acetoxy-indol-6-ol；6-Hydroxy-1H-indol-5-YL acetate；(6-hydroxy-1H-indol-5-yl) acetate
• CAS: 113370-02-8
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: FSYSJTXGNHBKHU-UHFFFAOYSA-N

物化性质

• 沸点：
  390.1±27.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  62.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5,6-二乙酰氧基吲哚 以30%的产率得到
  参考文献：
  名称：

  CHAN, ALEXANDER C.;HILLIARD, PETER R. (JR), TETRAHEDRON. LETT., 30,(1989) N7, C. 6483-6486

  摘要：

  DOI：

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。
• [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。
• 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。
• Xanthene Dyes
  申请人：Eliu Victor Paul

  公开号：US20090265866A1

  公开（公告）日：2009-10-29

  Disclosed are compounds of formula (1a), wherein R 1 is N + R 8 R 9 ; R 8 and/or R 9 independently from each other are hydrogen; C 1 -C 12 alkyl; or phenyl-C 1 -C 4 -alkyl; or R 8 and/or R 9 are a bivalent C 3 -C 6 alkylene radical which is linked to the carbon atoms C 1 or C 2 respectively and, together with the linking nitrogen atom form a 6 to 16-membered carbocyclic ring; R 2 is NR 10 R 11 ; or OR 10 ; R 10 and R 11 , independently from each other are hydrogen; C 1 -C 12 alkyl; or phenyl-C 1 -C 4 alkyl; or R 10 and/or R 11 are a bivalent C 3 -C 6 alkylene radical which is linked to the carbon atoms C 3 or C 4 respectively and, together with the linking nitrogen or oxygen atom form a 6 to 16-membered carbocyclic ring; or R 10 and R 11 together with the linking nitrogen atom form a 4 to 8 membered carbocyclic ring; R 3 , R 4 , R 5 , R 6 and R 7 independently form each other are hydrogen; C 1 -C 12 alkyl; halogen; NR 12 R 13 ; or a radical of formula (1a); R 12 and R 13 independently from each other are hydrogen; C 1 -C 12 alkyl; phenyl-C 1 -C 4 alkyl; or a radical of formula (1a 2 ); V is —O—; Or —NR 15 ; R 14 , R 15 R- 16 and R 17 independently from each other are hydrogen; or C 1 -C 5 alkyl; and Hal is a halogen atom; and wherein at least one of R 3 , R 4 , R 5 , R 6 and R 7 is hydrogen. The compounds are useful for dyeing of keratin-containing fibres with or without reducing agents.

  公开的是式（1a）的化合物，其中R1是N+R8R9；R8和/或R9分别是氢；C1-C12烷基；或苯基-C1-C4-烷基；或R8和/或R9是与碳原子C1或C2分别连接的双价C3-C6烷基基团，与连接的氮原子一起形成6到16成员的碳环；R2是NR10R11；或OR10；R10和R11，分别是氢；C1-C12烷基；或苯基-C1-C4烷基；或R10和/或R11是与碳原子C3或C4分别连接的双价C3-C6烷基基团，与连接的氮或氧原子一起形成6到16成员的碳环；或R10和R11与连接的氮原子一起形成4到8成员的碳环；R3、R4、R5、R6和R7分别是氢；C1-C12烷基；卤素；NR12R13；或式（1a）的基团；R12和R13分别是氢；C1-C12烷基；苯基-C1-C4烷基；或式（1a2）的基团；V是—O—；或—NR15；R14、R15、R-16和R17分别是氢；或C1-C5烷基；Hal是卤素原子；其中R3、R4、R5、R6和R7中至少有一个是氢。这些化合物可用于含角蛋白纤维的染色，可选择使用还原剂。
• Regioselectivity of the photo-fries rearrangement in acetoxyindoles
  作者：Alexander C. Chan、Peter R. Hilliard

  DOI：10.1016/s0040-4039(01)89000-6

  日期：1989.1

  5- and 6-acetoxyindoles have been found to undergo regio-selective photo-Fries rearrangement in aqueous solution.

  已经发现5-和6-乙酰氧基吲哚在水溶液中会进行区域选择性的光-弗里斯重排。