N-甲基-N-氯乙基-4-氨基苯甲醛 | 94-31-5

• 物质功能分类: 有机原料 - 醛类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-甲基-N-氯乙基-4-氨基苯甲醛
• 中文别名: 桃红FG醛；4-(N-甲基-N-氯乙基)氨基苯甲醛
• 英文名称: N-(2-chloroethyl)-N-methyl-4-aminobenzaldehyde
• 英文别名: p-(N-Methyl)-p-(N-2-chloroethyl)aminobenzaldehyde；4-[N-(2-chloroethyl)-N-methyl]aminobenzaldehyde；N-methyl-N-(2-chloroethyl)-4-aminobenzaldehyde；4-[(2-chloro-ethyl)-methyl-amino]-benzaldehyde；4-[(2-Chlor-aethyl)-methyl-amino]-benzaldehyd；p-[(2-chloroethyl)methylamino]benzaldehyde；4-((2-Chloroethyl)(methyl)amino)benzaldehyde；4-[2-chloroethyl(methyl)amino]benzaldehyde
• CAS: 94-31-5
• 化学式: C₁₀H₁₂ClNO
• mdl: MFCD00071777
• 分子量: 197.664
• InChiKey: IYFULQJDHJGQKQ-UHFFFAOYSA-N

物化性质

• 熔点：
  70 °C
• 沸点：
  328.7±27.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• WGK Germany：
  2
• RTECS号：
  TQ2625000
• 海关编码：
  2922399090
• 包装等级：
  I; II; III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

制备方法与用途

用途：用作阳离子染料的中间体

反应信息

• 作为反应物：
  描述：

  N-甲基-N-氯乙基-4-氨基苯甲醛 在 sodium hydrogensulfite 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 6.0h， 以54 g的产率得到4-(N-甲基-N-磺基乙基)氨基苯甲醛钠盐
  参考文献：
  名称：

  一种4-(N-甲基-N-磺基乙基)氨基苯甲醛钠 盐的合成方法

  摘要：

  本发明公开了一种4‑(N‑甲基‑N‑磺基乙基)氨基苯甲醛钠盐的合成方法，包括如下步骤：将N‑甲基‑N‑羟乙基苯胺和含氯氧化物加入有机溶剂中进行取代反应生成N‑甲基‑N‑氯乙基苯胺；将N‑甲基‑N‑氯乙基苯胺、二取代甲酰胺与三氯氧磷进行维尔斯迈尔‑哈克反应生成N‑甲基‑N‑氯乙基‑4‑氨基苯甲醛；将N‑甲基‑N‑氯乙基‑4‑氨基苯甲醛与磺化剂在碱性溶液中进行磺化反应生成4‑(N‑甲基‑N‑磺基乙基)氨基苯甲醛钠盐。本发明的原料廉价易得，工艺简单，适合大规模工业化生产。

  公开号：

  CN105017090B
• 作为产物：
  描述：

  N-甲基-N-(2-羟乙基)-4-氨基苯醛 在 四氯化碳 、 三苯基膦 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 N-甲基-N-氯乙基-4-氨基苯甲醛
  参考文献：
  名称：

  Hybrid PET/CT for Noninvasive Pharmacokinetic Evaluation of Dynamic PolyConjugates, a Synthetic siRNA Delivery System

  摘要：

  Positron emission tomography/computed tomography (PET/CT) hybrid imaging can be used to gain insights into a synthetic siRNA delivery system targeted to the liver. Either siRNA or the delivery vehicle was labeled with Cu-64 via 1, 4, 7, 10- tetraazacyclododecane- 1, 4, 7, 10- tetraacetic acid (DOTA) chelation. This study confirmed that the siRNA delivery system was successfully targeted to the liver. Incorporation of the siRNA into the delivery system protected the siRNA from renal filtration long enough so that the siRNA could be delivered to the liver. PET/CT imaging was important for confirming biodistribution and for determining differences in the distribution of labeled siRNA, siRNA incorporated into the delivery system, and the delivery system without siRNA.

  DOI：

  10.1021/bc900558z

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] DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION<br/>[FR] COMPOSITION COLORANTE COMPRENANT AU MOINS UN PRÉCURSEUR DE DISULFURE/THIOL INCOLORE ET PROCÉDÉ DE TEINTURE UTILISANT LA COMPOSITION
  申请人：OREAL

  公开号：WO2009040354A1

  公开（公告）日：2009-04-02

  The present invention relates to the dyeing of keratin materials using two colorless dye precursors, at least one of which contains a disulfide/thiol unit, said precursors reacting together chemically to form the color in situ. The process according to the invention makes it possible in the context of certain variants to solve the problems caused by the color generated during the process, while at the same time not degrading the efficacy of the coloration, and especially of the lightening effect. The colorations obtained are moreover powerful, chromatic, sparingly selective, and fast with respect to external agents such as sunlight, perspiration and especially shampoo.

  本发明涉及使用两种无色染料前体对角蛋白材料进行染色，其中至少一种含有二硫化物/巯基单元，这些前体在化学上相互反应以在原位形成颜色。根据本发明的方法使得在某些变体情况下能够解决染色过程中产生的问题，同时不降低染色的功效，特别是减淡效果。所获得的染色品不仅强大、色彩鲜艳、选择性较少，而且对于阳光、汗水和尤其是洗发水等外部因素具有快速的耐久性。
• Nucleic acid-immobilized substrate
  申请人：——

  公开号：US20010003649A1

  公开（公告）日：2001-06-14

  By immobilizing identical or different nucleic acids in a plurality of dot-like areas on a carrier which comprises a base material and compound carried on the base material, the compound having one or more alkylating groups, through intermediary of the alkylating group, a nucleic acid-immobilized substrate on which nucleic acids are firmly immobilized in fine dot area without reference to chain length of nucleic acids is provided, which enables efficiently introducing the nucleic acids onto the base material in a simple manner and can be produced with a simple apparatus.

  通过在载体上的多个点状区域中固定相同或不同的核酸，所述载体包括基材和携带在基材上的化合物，所述化合物具有一个或多个烷基化基团，通过烷基化基团的中介，提供了一种核酸固定底物，其中核酸被牢固固定在细小的点状区域中，而不考虑核酸的链长，这使得能够以简单的方式将核酸引入基材，并且可以使用简单的设备生产。
• Dyestuffs of the methine series
  申请人：GEN ANILINE WORKS INC

  公开号：US02179895A1

  公开（公告）日：1939-11-14

  Basic polymethine dyes are prepared by condensing compounds with reactive methyl or methylene groups with p-aminoarylaldehydes of the general formula (p) N--aryl--CHO wherein R stands for alkyl, halogenalkyl, oxyalkyl and R1 for hydrogen, alkyl, halogenalkyl, oxyalkyl, alkoxyalkyl, aralkyl or aryl with the restriction that R cannot be alkyl unless R1 is aryl, and wherein the aryl radicles may be further substituted. The term "reactive methyl or methylene group" comprises those groups which will react with an aldehyde group with splitting off of water and formation of a carbon-carbon double linkage; suitable compounds are esters, ethers and amides of cyanacetic acid, malonic nitrile, pyrazolones, indolines, a -methylindolines, a - and g -alkylpyridines, a - or g -alkylquinoline, oxythionaphthene, a dinitrotoluene. Suitable aldehydes are described in Specification 456,534. In examples: (1) p-butyl-chlorethylaminobenzaldehyde is condensed with cyanacetic acid ethyl ester in alcohol containing piperidine; p - chlorethyl - methylaminobenzaldehyde and p - di - (chlorethyl) - aminobenzaldehyde may similarly be used; (2) p-(p<1>-ethoxyphenylmethyl)-aminobenzaldehyde is condensed with cyanacetic acid ethyl ester or malonic acid dinitrile; (3) p - methyl - oxyethylaminobenzaldehyde is condensed with cyanacetic ethyl ester in alcohol containing a little piperidine; p-oxyethyl-chlorethylaminobenzaldehyde may be used similarly; (4) p-chlorethyl-methylaminobenzaldehyde is condensed with 1-phenyl-3-methyl-5-pyrazolone in alcohol containing piperidine; (5) p - di - (chlorethyl) - aminobenzaldehyde is condensed with 1.3.3-trimethyl-2-methyleneindoline in glacial acetic acid, with methylketol in glacial acetic acid, and with 3-oxythionaphthene; (6) p-ethylchlorethylamino-o-tolylaldehyde is condensed with 1.3.3-trimethyl-2-methyleneindoline in glacial acetic acid; (7) p-methyl-b -chloro-n-propylaminobenzaldehyde is condensed with 1.3.3-trimethyl 2-methyleneindoline in glacial acetic acid; (8) p-(p<1>-ethoxyphenylmethyl)-aminobenzaldehyde is condensed with 1 - ethyl - 3.3. - dimethyl - 2 - methylene-a -naphthindoline in glacial acetic acid. The products are basic dyes for solvents, for cellulose ethers and esters, for leather, and for use in making lakes on textiles and substrata. Specifications 396,893 and 431,652 also are referred to.

  基本的聚甲烯染料是通过将具有反应性甲基或亚甲基基团的化合物与通式（p）N-芳基-CHO的p-氨基芳醛缩合制备而成，其中R代表烷基，卤代烷基，氧代烷基，R1代表氢，烷基，卤代烷基，氧代烷基，烷氧基烷基，芳基烷基或芳基，但R不能是烷基，除非R1为芳基，其中芳基基团可能进一步取代。术语“反应性甲基或亚甲基基团”包括那些将与醛基反应并分离出水并形成碳-碳双键的基团；适当的化合物包括氰乙酸酯，醚和腈酰胺，丙二腈，吡唑酮，吲哚啉，α-甲基吲哚啉，α-和γ-烷基吡啶，α-或γ-烷基喹啉，氧硫萘，邻二硝基甲苯。适当的醛类在规范456,534中有描述。在示例中：（1）p-丁基-氯乙基氨基苯甲醛在含有哌啶的醇中与氰乙酸乙酯缩合；类似地，可以使用p-氯乙基-甲基氨基苯甲醛和p-二（氯乙基）-氨基苯甲醛；（2）p-（p1-乙氧苯基甲基）-氨基苯甲醛与氰乙酸乙酯或丙二腈缩合；（3）p-甲氧基乙基氨基苯甲醛在含少量哌啶的醇中与氰乙酸乙酯缩合；类似地，可以使用p-氧乙基-氯乙基氨基苯甲醛；（4）p-氯乙基-甲基氨基苯甲醛在含有哌啶的醇中与1-苯基-3-甲基-5-吡唑酮缩合；（5）p-二（氯乙基）-氨基苯甲醛在冰乙酸中与1.3.3-三甲基-2-亚甲基吲哚啉、甲基酮在冰乙酸中、3-氧硫萘缩合；（6）p-乙基氯乙基氨基-邻甲苯甲醛在冰乙酸中与1.3.3-三甲基-2-亚甲基吲哚啉缩合；（7）p-甲基-b-氯-n-丙基氨基苯甲醛在冰乙酸中与1.3.3-三甲基2-亚甲基吲哚啉缩合；（8）p-（p1-乙氧苯基甲基）-氨基苯甲醛在冰乙酸中与1-乙基-3.3.-二甲基-2-亚甲基-α-萘吲哚缩合。这些产品是用于溶剂，纤维素醚和酯，皮革和制造纺织品和基材的湖染料的基本染料。规范396,893和431,652也被提及。
• Method for single-step attachment of a label to target molecules
  申请人：——

  公开号：US20040210044A1

  公开（公告）日：2004-10-21

  Compounds and methods are provided for a single-step covalent attachment of a label to a molecule comprising forming a covalently attachable labeling reagent for alkylating the molecule. Then, combining the covalently attachable labeling reagent with a mixture containing the molecule, under conditions wherein the labeling reagent has reactivity with the molecule thereby forming a covalent bond.

  本文提供了一种化合物和方法，用于将标签单步共价地附加到分子上，包括形成一种可共价连接的标记试剂，用于烷基化该分子。然后，在标记试剂与含有该分子的混合物中混合，在标记试剂具有与该分子反应性的条件下，形成共价键。