4-fluoro-6-methyl-benzene-1,3-diamine | 141922-20-5

• 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: 4-fluoro-6-methyl-benzene-1,3-diamine
• 英文别名: 2,4-diamino-1-fluoro-5-methylbenzene；2,4-diamino-5-fluoro-toluene；5-fluoro-2,4-diaminotoluene；2,4-diamino-1-fluoro-5-methyl-benzene；4-fluoro-6-methylbenzene-1,3-diamine；2,4-diamino-5-fluorotoluene
• CAS: 141922-20-5
• 化学式: C₇H₉FN₂
• mdl: MFCD19203769
• 分子量: 140.16
• InChiKey: GPMWAWDEZPFUTN-UHFFFAOYSA-N

物化性质

• 沸点：
  279.7±35.0 °C(Predicted)
• 密度：
  1.224±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 储存条件：
  存储条件：室温、密封且干燥。

反应信息

• 作为反应物：
  描述：

  4-fluoro-6-methyl-benzene-1,3-diamine 、 1-氯乙基氯甲酸酯 在 氢氧化钾 、 calcium carbonate 作用下， 以 1,4-二氧六环 、 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 乙醇 、 水 为溶剂， 以35%的产率得到5-fluoro-2,4-bis[(2'-hydroxyethyl)amino]toluene
  参考文献：
  名称：

  5-halogen-2,4-Bis (alkylamino)-1-alkylbenzenes and hair dye compositions

  摘要：

  头发氧化染料的配方中至少包含一个一般式为##STR1##的偶联剂，其中R是直链或支链的C.sub.1 - 到C.sub.4 -烷基团，X是氯或氟，而R.sup.1是直链或支链的C.sub.1 - 到C.sub.4 -烷基团或直链或支链的C.sub.2 - 到C.sub.4 -羟基烷基团。公式(I)的5-卤代-2,4-双(烷基氨基)-1-烷基苯是新颖的。一般式(I)的偶联剂可以通过简单的化学反应获得，易溶于水并具有出色的货架稳定性，特别是作为所述头发染料配方的组分。根据本发明的头发染料配方可以实现的染色效果特别以红色色调的颜色强度为特点，除了多种色调之外，还具有对蓝色色调的良好纯度。

  公开号：

  US05542953A1
• 作为产物：
  描述：

  1-氟-5-甲基-2,4-二硝基苯 在 钯 silica gel 、 ethyl acetate n-hexane 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以gave 4-fluoro-6-methyl-benzene-1,3-diamine (613 mg, 87%)的产率得到4-fluoro-6-methyl-benzene-1,3-diamine
  参考文献：
  名称：

  Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use

  摘要：

  本文描述了调节和/或抑制某些蛋白激酶活性的吲唑化合物。这些化合物和含有它们的药物组合物能够介导酪氨酸激酶信号转导，从而调节和/或抑制不需要的细胞增殖。本发明还涉及含有这种化合物的药物组合物的治疗或预防使用，以及通过给予这种化合物的有效剂量治疗癌症和其他与不需要的血管生成和/或细胞增殖相关的疾病状态，如糖尿病视网膜病变、新生血管性青光眼、类风湿性关节炎和银屑病。

  公开号：

  US06891044B2

文献信息

• Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use
  申请人：Agouron Pharamaceuticals, Inc.

  公开号：US06531491B1

  公开（公告）日：2003-03-11

  Indazole compounds that modulate and/or inhibit the activity of certain protein kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating tyrosine kinase signal transduction and thereby modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.

  描述了调节和/或抑制某些蛋白激酶活性的吲唑化合物。这些化合物及含有它们的药物组合物能够介导酪氨酸激酶信号转导，从而调节和/或抑制不需要的细胞增殖。该发明还涉及含有这些化合物的药物组合物的治疗或预防用途，以及通过给予这些化合物的有效剂量来治疗癌症和其他与不需要的血管生成和/或细胞增殖相关的疾病状态，如糖尿病视网膜病变、新生血管性青光眼、类风湿性关节炎和牛皮癣的方法。
• Compositions for oxidatively dyeing keratin fibers and methods for using such compositions
  申请人：Lim Mu'Ill

  公开号：US20070209123A1

  公开（公告）日：2007-09-13

  Compositions for dyeing keratin fibers comprise (a) at least one keratin dyeing compound selected from aromatic systems which comprise at least one boronic acid or boronic ester moiety and which are capable of forming upon oxidation a nucleophile or an electrophile, (b) at least one additional keratin dyeing compound selected from the group consisting of auxiliary developers and auxiliary couplers, and (c) a cosmetically suitable medium. Methods for oxidatively dyeing keratin fibers comprise the steps of applying such compositions in the presence of an oxidizing agent and rinsing the hair. A hair coloring product in kit form comprises a first separately packaged container comprising a composition as described above and a second separately packaged container comprising an oxidizing agent.

  用于染色的组合物包括：(a)至少一种选自含有至少一个硼酸或硼酸酯基团的芳香族系统的角蛋白染料化合物，这些化合物在氧化时能够形成亲核物或亲电子物；(b)至少一种额外的角蛋白染料化合物，选自辅助显色剂和辅助偶联剂的组合；(c)一种化妆品适用的介质。氧化染角蛋白纤维的方法包括在氧化剂存在下应用这样的组合物，并冲洗头发。一种套装形式的头发染色产品包括一个第一独立包装容器，其中包含上述描述的组合物，以及一个第二独立包装容器，其中包含氧化剂。
• Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof
  申请人：Lim Mu'lll

  公开号：US20060156481A1

  公开（公告）日：2006-07-20

  Compositions for the oxidative dyeing of keratin fibers, comprising a medium suitable for dyeing and at least one N-oxides of six-membered rings with one or two nitrogen atoms keratin dyeing compound. A method for oxidative dyeing of keratin fibers, comprising applying such compositions in the presence of an oxidizing agent, for a period sufficient to develop the desired coloration.

  氧化染色角蛋白纤维的配方，包括适用于染色的介质和至少一种含有一个或两个氮原子的六元环N-氧化物的角蛋白染料化合物。一种氧化染色角蛋白纤维的方法，包括在氧化剂存在下施用这种配方，以足够时间发展所需的着色。
• Coupling compounds and hair dyeing compositions containing them
  申请人：DyStar Textilfarben GmbH & Co. Deutschland KG

  公开号：EP1847528A1

  公开（公告）日：2007-10-24

  The present invention refers to compounds of the formula (I) wherein R1 is (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy, hydroxy-(C1-C4)-alkoxy, CN, -COOR5, -CON(R5)2 or -N(R5)2 or is phenyl; R2 is hydrogen, methyl or ethyl; R3 is (C1-C4)-alkylsulfonyl, (C1-C4)-alkylsulfonyl which is substituted by hydroxy, halogen, cyano, (C1-C4)-alkoxy or -N(R5)2 or is -SO2-CH=CH2, -SO2N(R5)2 or -PO(OR5)2; R4 is hydrogen, (C2-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy or hydroxy-(C1-C4)-alkoxy; each of R5, independently is hydrogen, (C1-C4)-alkyl or hydroxy-(C2-C4)-alkyl; whereas R3 is not -NHSO2CH3 if R2 and R4 are both hydrogen and R1 is methyl, as well as hair dye compostions containing them.

  本发明涉及以下式(I)的化合物其中R1是(C1-C4)-烷基，被羟基取代的(C1-C4)-烷基，(C1-C4)-氧烷基，羟基-(C1-C4)-氧烷基，CN，-COOR5，-CON(R5)2或-N(R5)2或是苯基；R2是氢，甲基或乙基；R3是(C1-C4)-烷基磺酰基，被羟基，卤素，氰基，(C1-C4)-氧烷基或-N(R5)2取代的(C1-C4)-烷基磺酰基，或是-SO2-CH=CH2，-SO2N(R5)2或-PO(OR5)2；R4是氢，被羟基，(C1-C4)-氧烷基或羟基-(C1-C4)-氧烷基取代的(C2-C4)-烷基；R5中的每一个独立地是氢，(C1-C4)-烷基或羟基-(C2-C4)-烷基；其中如果R2和R4都是氢且R1是甲基，则R3不是-NHSO2CH3，以及含有它们的染发组合物。
• Coupling compounds and hair dyeing compositions containg them
  申请人：DyStar Textilfarben GmbH & Co. Deutschland KG

  公开号：EP1847526A1

  公开（公告）日：2007-10-24

  The present invention refers to Compound of the formula (I) wherein X is oxygen or sulphur; R1 is (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy, hydroxy-(C1-C4)-alkoxy, CN, -COOR6, -CON(R6)2 or -N(R6)2 or is phenyl; R2 is hydrogen, methyl or ethyl; R3 is hydrogen, (C1-C4)-alkylsulfonyl, (C1-C4)-alkylsulfonyl which is substituted by hydroxy, halogen, cyano, (C1-C4)-alkoxy or -N(R6)2 or is -SO2-CH=CH2, -SO2N(R6)2 or -PO(OR6)2; or R3 is hydroxy-(C1-C4)-alkyl if R4 and R5 are not hydrogen ; R4 is hydrogen, (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy, or hydroxy-(C1-C4)-alkoxy ; R5 is hydrogen, (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy or hydroxy-(C1-C4)-alkoxy ; R6 is hydrogen, (C1-C4)-alkyl or hydroxy-(C1-C4)-alkyl; whereas R3, R4 and R6 are all hydrogen or are different and whereas the compound of the formula (I) wherein R1 is methyl and R2 to R5 are hydrogen is diesclaimt, as well as hair dye compositions containing them.

  本发明涉及式(I)化合物，其中X为氧或硫；R1为(C1-C4)烷基、被羟基取代的(C1-C4)烷基、(C1-C4)烷氧基、羟基-(C1-C4)烷氧基、氰基、-COOR6、-CON(R6)2或-N(R6)2或为苯基；R2为氢、甲基或乙基；R3为氢、(C1-C4)烷基磺酰基、被羟基、卤素、氰基、(C1-C4)烷氧基或-N(R6)2取代的(C1-C4)烷基磺酰基，或为-SO2-CH=CH2、-SO2N(R6)2或-PO(OR6)2；或者，当R4和R5不为氢时，R3为羟基-(C1-C4)烷基；R4为氢、(C1-C4)烷基、被羟基、(C1-C4)烷氧基或羟基-(C1-C4)烷氧基取代的(C1-C4)烷基；R5为氢、(C1-C4)烷基、被羟基、(C1-C4)烷氧基或羟基-(C1-C4)烷氧基取代的(C1-C4)烷基；R6为氢、(C1-C4)烷基或羟基-(C1-C4)烷基；其中R3、R4和R6均为氢或不同，并且式(I)化合物中R1为甲基且R2至R5均为氢的化合物除外，以及含有它们的染发组合物。