3,3'-{Sulfonylbis[(2-nitro-4,1-phenylene)azanediyl]}bis(6-anilinobenzene-1-sulfonic acid) | 738516-63-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3'-{Sulfonylbis[(2-nitro-4,1-phenylene)azanediyl]}bis(6-anilinobenzene-1-sulfonic acid)
• 英文别名: 2-anilino-5-[4-[4-(4-anilino-3-sulfoanilino)-3-nitrophenyl]sulfonyl-2-nitroanilino]benzenesulfonic acid
• CAS: 738516-63-7
• 化学式: C36H28N6O12S3
• 分子量: 832.8
• InChiKey: SDOBKHZVBNIBHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  57
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  308
• 氢给体数：
  6
• 氢受体数：
  16

文献信息

• Bridged diaminopyrazole compounds and dye compositions containing same
  申请人：——

  公开号：US20020170125A1

  公开（公告）日：2002-11-21

  The new diaminopyrazole compounds are bridged 4,5-diaminopyrazole compounds or salts thereof. These diaminopyrazole compounds have the formula (I): 1 wherein R1 represents hydrogen, a C 1 - to C 6 -alkyl, a C 1 - to C 4 -hydroxyalkyl, a C 1 - to C 4 -aminoalkyl, a C 1 - to C 8 -alkylamino, a di(C 1 - to C 8 -alkyl)amino, a C 1 - to C 4 -alkylamino-(C 1 - to C 4 -alkyl), a di(C 1 - to C 4 -alkylamino)-C 1 - to C 4 -alkyl, an aryl or a heteroaryl; R2 and R3 each represent hydrogen, a straight-chain or branched C 1 - to C 6 -alkyl, an aryl, a heteroaryl, a carboxylic acid, a carboxylic acid ester, an unsubstituted or substituted carboxylic acid amide, a hydroxy or a C 1 - to C 4 -hydroxyalkyl group, or R2 and R3 together represent a C 1 - to C 6 -alkylene group; Z represents a C 1 - to C 10 -alkyl diradical, optionally interrupted by a heteroatom, an aromatic or heteroaromatic diradical, optionally substituted with a hydroxy group, a C 1 - to C 6 -alkyl group and/or is subjected to a benzocondensation once or twice; or Z is —Ar(Alk) n —Ar—, wherein Ar represents an arylene group or a heteroarylene group, Alk represents a —CH 2 — group and n is 0 to 6; and x and y are 0 or 1.

  新的二氨基吡唑化合物是桥联的4,5-二氨基吡唑化合物或其盐。这些二氨基吡唑化合物的化学式为（I）：其中R1代表氢、C1至C6烷基、C1至C4羟基烷基、C1至C4氨基烷基、C1至C8烷基氨基、双（C1至C8烷基）氨基、C1至C4烷基氨基（C1至C4烷基）、双（C1至C4烷基氨基）-C1至C4烷基、芳基或杂芳基；R2和R3各自代表氢、直链或支链的C1至C6烷基、芳基、杂芳基、羧酸、羧酸酯、未取代或取代的羧酸酰胺、羟基或C1至C4羟基烷基，或者R2和R3一起代表C1至C6烷基烯基；Z代表C1至C10烷基二基团，可由杂原子中断，芳香或杂芳二基团，可取代一个羟基、一个C1至C6烷基团和/或经过一次或两次苯环缩合；或Z为—Ar(Alk)n—Ar—，其中Ar代表芳基团或杂芳基团，Alk代表—CH2—基团，n为0至6；x和y为0或1。
• Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same
  申请人：——

  公开号：US20030041392A1

  公开（公告）日：2003-03-06

  A process is described for making 1,4-diamino-2-methoxymethylbenzene of formula (I), or a physiologically compatible salt of 1,4-diamino-2-methoxy-methylbenzene, of formula (I): 1 wherein n is a number from 0 to 2 and HX represents an inorganic or organic acid. The process includes reacting 2-methoxymethyl-4-nitrophenol with a halogenacetamide to form 2-(2-methoxymethyl-4-nitrophenoxy)acetamide; rearranging the 2-(2-methoxymethyl-4-nitrophenoxy)acetamide to form 2-methoxymethyl-4-nitroaniline and then catalytically hydrogenating the 2-methoxymethyl-4-nitroaniline and, when n=1 or 2, subsequently reacting with the inorganic or organic acid, to form the 1,4-diamino-2-methoxymethylbenzene of formula (I), or the salt if n=1 or 2. Compositions and methods of dyeing hair containing the 1,4-diamino-2-methoxymethylbenzene or its salt are also described.

  描述了一种制备1,4-二氨基-2-甲氧甲基苯的过程，或者制备1,4-二氨基-2-甲氧甲基苯的生理兼容盐的过程，其中n是从0到2的数字，HX代表无机或有机酸。该过程包括将2-甲氧甲基-4-硝基苯酚与卤代乙酰胺反应，形成2-(2-甲氧甲基-4-硝基苯氧基)乙酰胺；将2-(2-甲氧甲基-4-硝基苯氧基)乙酰胺重排，形成2-甲氧甲基-4-硝基苯胺，然后催化氢化2-甲氧甲基-4-硝基苯胺，并且当n=1或2时，随后与无机或有机酸反应，形成1,4-二氨基-2-甲氧甲基苯的化学式(I)，或者如果n=1或2，则形成盐。还描述了含有1,4-二氨基-2-甲氧甲基苯或其盐的染发剂的组合物和染发方法。
• Use of cationic azacyanine dyes for coloring keratin fibers
  申请人：Javet Manuela

  公开号：US20070022545A1

  公开（公告）日：2007-02-01

  The present invention relates to the use of cationic azacyanine dyes of the formula (Ia) or (Ib) for coloring keratin fibers, and to a method of coloring hair with various degrees of damage.

  本发明涉及使用带正电的氮杂菁染料的化学式(Ia)或(Ib)来染色角蛋白纤维，以及使用各种程度受损的头发染色的方法。
• Cationic azacyanine dyes and coloring agents containing said dyes
  申请人：Javet Manuela

  公开号：US20070220685A1

  公开（公告）日：2007-09-27

  The present invention relates to agents containing cationic azacyanine dyes having formula (I) for dyeing fibers, such as, for example, keratin fibers, wool, silk or fleeces, and in particular human hair, as well as to new asymmetrical azacyanine dyes.

  本发明涉及含有带正电的氮杂青烷染料的制剂，其化学式为(I)，用于染色纤维，例如角蛋白纤维、羊毛、丝绸或羊毛绒等，特别是人类头发，同时也涉及新的非对称氮杂青烷染料。
• Novel diaminopyrazole derivatives and dyes containing said compounds
  申请人：——

  公开号：US20030115684A1

  公开（公告）日：2003-06-26

  Diaminopyrazole derivatives of the general Formula (I) or their physiological tolerated, water-soluble salts with inorganic or organic acids, 1 and agents, containing these compounds, for the oxidative dyeing of fibers.

  通式（I）的二氨基吡唑衍生物或其生理耐受性、水溶性盐，包括这些化合物的无机或有机酸，以及用于纤维氧化染色的剂。