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[3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium;chloride | 68123-13-7

中文名称
——
中文别名
——
英文名称
[3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium;chloride
英文别名
——
[3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium;chloride化学式
CAS
68123-13-7
化学式
C19H20BrClN4O2
mdl
——
分子量
451.7
InChiKey
RFQSMLBZXQOMKK-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    724.99℃[at 101 325 Pa]
  • 密度:
    2.19[at 20℃]
  • LogP:
    -0.88

计算性质

  • 辛醇/水分配系数(LogP):
    0.21
  • 重原子数:
    27
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.16
  • 拓扑面积:
    102
  • 氢给体数:
    3
  • 氢受体数:
    6

ADMET

毒理性
  • 副作用
皮肤致敏剂 - 一种可以诱导皮肤产生过敏反应的制剂。
Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

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。
  • 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。
  • Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers
    申请人:Goettel Otto
    公开号:US20060183781A1
    公开(公告)日:2006-08-17
    4,5-Diaminopyrazoles of general formula (I) wherein R denotes a straight-chain or branched C 1 -C 6 -alkyl group, an unsubstituted phenyl group or a singly or multiply substituted phenyl group wherein the substituents are selected independently of each other from among a halogen atom, a C 1 -C 6 carboxylate ester group, a straight-chain or branched C 1 -C 6 -alkoxy group, a straight-chain or branched C 1 -C 6 -alkoxy group interrupted by one or two hetero atoms, a hydroxyethoxy group, a dihydroxypropoxy group or a nitrile group; furthermore oxidation colorants for keratin fibers containing these compounds and a method for producing said compounds.
    通式为(I)的4,5-二氨基吡唑,其中R表示直链或支链C1-C6烷基,未取代的苯基或单烷基或多烷基取代的苯基,其中取代基独立地从卤素原子,C1-C6羧酸酯基,直链或支链C1-C6-烷氧基,由一到两个杂原子中断的直链或支链C1-C6-烷氧基,羟乙氧基,二羟基丙氧基或腈基中选择;此外,还包含这些化合物的角蛋白纤维氧化染料和生产该化合物的方法。
  • Compositions and methods for dyeing keratinous fibers
    申请人:——
    公开号:US20040158936A1
    公开(公告)日:2004-08-19
    Pro-dyes of direct dyes having an enzymatically-labile functionality, e.g. glutaramide derivatives of direct dyes of formula (I) or their physiologically acceptable salts, 1 are described, as well as compositions for dyeing keratinous fibers containing these pro-dyes, as well as compositions for dyeing keratinous fibers containing a combination of at least one pro-dye and at least one enzyme capable of cleaving the glutaramide functionality in the pro-dye. A method for dyeing keratinous fibers with the aforementioned dyeing compositions is also described.
    本文介绍了一种具有酶敏感性官能团的直接染料的前体染料,例如公式(I)的直接染料的戊二酰胺衍生物或其生理上可接受的盐,并介绍了含有这些前体染料的染色角蛋白纤维的组合物,以及含有至少一种能够裂解前体染料中戊二酰胺官能团的酶和至少一种前体染料的组合物的染色角蛋白纤维的组合物。还介绍了使用上述染料组合物染色角蛋白纤维的方法。
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