N-羟乙基-3,4-亚甲二氧基苯胺盐酸盐 | 81329-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: N-羟乙基-3,4-亚甲二氧基苯胺盐酸盐
• 中文别名: 2-(1,3-苯并二氧代l-5-基氨基)乙醇盐酸盐
• 英文名称: 2-(benzo[1,3]dioxol-5-ylamino)ethanol
• 英文别名: 4-(2,hydroxyethyl)amino-1,2-methylenedioxybenzene；2-(1,3-Benzodioxol-5-ylamino)ethanol
• CAS: 81329-90-0
• 化学式: C₉H₁₁NO₃
• mdl: MFCD11154445
• 分子量: 181.191
• InChiKey: BQHMISUMCDYQTR-UHFFFAOYSA-N

物化性质

• 熔点：
  53-54 °C
• 沸点：
  363.1±42.0 °C(Predicted)
• 密度：
  1.351±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-羟乙基-3,4-亚甲二氧基苯胺盐酸盐 在 吡啶 、 sodium periodate 、 sodium ethanolate 、 对甲苯磺酸 作用下， 以 甲醇 、 乙醇 、 水 、 苯 为溶剂， 反应 21.0h， 生成 5-(Toluene-4-sulfonyl)-5,6,7,9-tetrahydro-1,3-dioxa-8-thia-5-aza-cyclohepta[f]indene-9-carboxylic acid ethyl ester
  参考文献：
  名称：

  2,3-二氢-5 H -1,4-苯并噻吨和1,2,3,5-四氢-4,1-苯并硫氮杂s的新颖合成

  摘要：

  通过α-[2-（芳氧基）乙硫基]-α-氯乙酸乙酯的分子内Friedel-Crafts反应或通过α-[2]的酸催化环化反应制备2,3-二氢-5 H -1,4-苯并噻吩-（芳氧基）乙基亚磺酰基]-乙酸酯。相似地制备了1,2,3,5-四氢-4,1-苯并硫氮杂s。

  DOI：

  10.1002/jhet.5570230439
• 作为产物：
  描述：

  在 乙醇 、 potassium hydroxide 作用下， 生成 N-羟乙基-3,4-亚甲二氧基苯胺盐酸盐
  参考文献：
  名称：

  Identification of the First Inhibitor of the GBP1:PIM1 Interaction. Implications for the Development of a New Class of Anticancer Agents against Paclitaxel Resistant Cancer Cells

  摘要：

  Class III beta-tubulin plays a prominent role in the development of drug resistance to paclitaxel by allowing the incorporation of the GBP1 GTPase into microtubules. Once in the cytoskeleton. GBP1 binds to prosurvival kinases such as PIM1 and initiates a signaling pathway that induces resistance to paclitaxel. Therefore, the inhibition of the GBP1:PIM1 interaction could potentially revert resistance to paclitaxel. A panel of 44 4-azapodophyllotoxin. derivatives was screened in the NCI-60 cell panel. The result is that 31 are active and the comparative analysis demonstrated specific activity in paclitax el-resistant cells, Using surface plasmon resonance, we were able to prove that NSC756093 is a potent in vitro inhibitor of the GBP1:PIM1 interaction and that this property is maintained in vivo in ovarian cancer cells resistant to paclitaxel. Through bioinformatics, molecular modeling and mutagenesis studies, we identified the putative NSC756093 binding site at the interface between the helical and the LG domain of GBP1. According to our results by binding to this site the NSC756093 compound is able to stabilize a conformation of GBP1 not suitable for binding to PIM1.

  DOI：

  10.1021/jm5009902

文献信息

• [EN] NEW CATIONIC DYES, KITS AND COMPOSITIONS THEREOF, AND PROCESS FOR DYEING KERATIN FIBERS<br/>[FR] NOUVEAUX COLORANTS CATIONIQUES, KITS ET COMPOSITIONS LES CONTENANT, ET PROCÉDÉ DE TEINTURE DE FIBRES KÉRATINIQUES
  申请人：ALFA PARF GROUP S P A

  公开号：WO2014202150A1

  公开（公告）日：2014-12-24

  The present invention relates to new cationic dyes of general formula (I) and (II): The invention also relates to kits and compositions for dyeing keratin fibers, which contain at least one of these dyes as well as to a process for dyeing keratin fibers using at least one of these dyes.

  本发明涉及一般式(I)和(II)的新阳离子染料：该发明还涉及用于染色角蛋白纤维的套件和组合物，其中至少含有这些染料之一，以及使用至少一种这些染料染色角蛋白纤维的方法。
• 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。
• CuI/Oxalic Diamide Catalyzed Coupling Reaction of (Hetero)Aryl Chlorides and Amines
  作者：Wei Zhou、Mengyang Fan、Junli Yin、Yongwen Jiang、Dawei Ma

  DOI：10.1021/jacs.5b08411

  日期：2015.9.23

  A class of oxalic diamides are found to be effective ligands for promoting CuI-catalyzed aryl amination with less reactive (hetero)aryl chlorides. The reaction proceeds at 120 °C with K3PO4 as the base in DMSO to afford a wide range of (hetero)aryl amines in good to excellent yields. The bis(N-aryl) substituted oxalamides are superior ligands to N-aryl-N'-alkyl substituted or bis(N-alkyl) substituted

  发现一类草酸二酰胺是促进 CuI 催化的芳基胺化与反应性较低的（杂）芳基氯化物的有效配体。该反应在 120 °C 下以 K3PO4 作为碱在 DMSO 中进行，以良好到极好的收率提供范围广泛的（杂）芳基胺。双(N-芳基)取代的草酰胺是优于N-芳基-N'-烷基取代或双(N-烷基)取代的草酰胺的配体。配体中芳环的电子性质和空间性质对其效率都很重要。
• 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。
• 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。