3,4-Bis[3-(dimethylamino)propoxy]benzaldehyde | 960357-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4-Bis[3-(dimethylamino)propoxy]benzaldehyde
• CAS: 960357-91-9
• 化学式: C₁₇H₂₈N₂O₃
• 分子量: 308.421
• InChiKey: NUEQDOPEYXDKFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-Bis[3-(dimethylamino)propoxy]benzaldehyde 、 环戊酮 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  Mono-carbonyl curcumin analogues as 11β-hydroxysteroid dehydrogenase 1 inhibitors

  摘要：

  A series of structurally novel mono-carbonyl curcumin analogues have been synthesized and biologically evaluated to test their inhibitory potencies and the structure-activity relationship (SAR) on human and rat 11 beta-hydroxysteroid dehydrogenase isoform (11 beta-HSD1) activities. 11 beta-HSD1 selective inhibitors have been discovered and compound A10 is discovered as a very potent with an IC50 value of 97 nM without inhibiting 11 beta-HSD2. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.080

文献信息

• Tricationic dyes
  申请人：Cremer Christian

  公开号：US20100011518A1

  公开（公告）日：2010-01-21

  Disclosed are compounds of formula D is an aromatic or a cationic heteroaromatic group, which is optionally substituted by C 1 -C 14 alkyl, C 1 -C 14 alkoxy, hydroxy-C 1 -C 14 alkyl, C 3 -C 8 cycloalkyl, —CN, NO 2 , —NR 3 R 4 , halogen, C 6 -C 10 aryl, which is optionally substituted or C 1 -C 14 alkyl, or by one or more groups Z; E 1 and E 2 independently from each other are ═CH; or ═N—; K is an aromatic or heteroaromatic group which is optionally substituted by C 1 -C 14 alkyl, C 1 -C 14 alkoxy, C 3 -C 8 cycloalkyl, C 6 -C 10 aryl, halogen, hydroxy, NO 2 , —NR 3 R 4 , —N(R 3 )(CO)R 4 , —SO 2 NR 1 R 2 , —SONR 1 R 2 or by one or more Z; or a radical of formula —NR 1 R 2 ; R 1 and R 2 independently from each other are hydrogen; C 1 -C 14 alkyl; cyclo-C 1 -C 14 alkyl; C 6 -C 10 aryl; an aromatic or heteroaromatic group which is optionally substituted by C 1 -C 14 alkyl, C 1 -C 14 alkoxy, C 3 -C 8 cycloalkyl, C 6 -C 10 aryl, halogen, hydroxy, —NR 5 R 6 , —N(R 5 )—(CO)R 5 or by Z; Z is a group of the formula (1a) *—X 1 —Y 1 —W 1 , wherein X 1 is the direct bond; —NR 7 —; —O—; —NR 7 (C═O)—; —(CO)NR 7 —; —O(C═O)—; —(CO)O—; or —(C═O)—; Y 1 is the direct bond; C 1 -C 12 alkylene, which is optionally interrupted by —O—, —NR 8 , —S—, —(C═O)—, —O(C═O)—, (C═O)O—, —NR 7 (C═O)—, —(C═O)NR 7 —, and which may substituted by C 1 -C 14 alkyl, hydroxy-C 1 -C 14 alkyl, hydroxy, —NR 9 R 10 or halogen; or C 6 -C 10 arylene, which may substituted by C 1 -C 14 alkyl, hydroxy-C 1 -C 14 alkyl, hydroxy, amino or halogen; W 1 is a cationic group; and R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 independently from each other are hydrogen; C 1 -C 14 alkyl; or Z; and An 1 − , An 2 − and An 3 − independently from each other are an anion. The compounds are useful for dyeing of organic materials, such as keratin-containing fibers, wool, leather, silk, cellulose or polyamides, especially keratin-containing fibers, cotton or nylon, more preferably human hair.
• US7794509B2
  申请人：——

  公开号：US7794509B2

  公开（公告）日：2010-09-14
• [EN] TRICATIONIC DYES<br/>[FR] COLORANTS TRICATIONIQUES
  申请人：CIBA SC HOLDING AG

  公开号：WO2007144280A2

  公开（公告）日：2007-12-21

  [EN] Disclosed are compounds of formula (I); wherein D is an aromatic or a cationic heteroaromatic group, which is optionally substituted by C₁-C₁₄alkyl, C₁-C₁₄alkoxy, hydroxy-C₁-C₁₄alkyl, C₃-C₈cycloalkyl, -CN, NO₂, -NR₃R₄, halogen, C₆-C₁₀aryl, which is optionally substituted or C₁-C₁₄alkyl, or by one or more groups Z; E₁ and E₂ independently from each other are =CH; or =N-; K is an aromatic or heteroaromatic group which is optionally substituted by C₁-C₁₄alkyl, C₁-C₁₄alkoxy, C₃-C₈cycloalkyl, C₆-C₁₀aryl, halogen, hydroxy, NO₂, -NR₃R₄, -N(R₃)(CO)R₄, -SO₂NR₁R₂, -SONR₁R₂ or by one or more Z; or a radical of formula -NR₁R₂; R₁ and R₂ independently from each other are hydrogen; C₁-C₁₄alkyl; cyclo-C₁-C₁₄alkyl; C₆- C₁₀aryl; an aromatic or heteroaromatic group which is optionally substituted by C₁- C₁₄alkyl, C₁-C₁₄alkoxy, C₃-C₈cycloalkyl, C₆-C₁₀aryl, halogen, hydroxy, -NR₅R₆, -N(R₅)-(CO)R₅ or by Z; Z is a group of the formula (1 a) *- X₁-Y₁-W₁, wherein X₁ is the direct bond; -NR₇-; -0-; -NR₇(C=O)-; -(CO)NR₇-; -0(C=O)-; -(CO)O-; or -(C=O)-; Y₁ is the direct bond; C₁-C₁₂alkylene, which is optionally interrupted by -0-, -NR₈, -S-, -(C=O)-, -0(C=O)-, (C=O)O-, -NR₇(C=O)-, -(C=O)NR₇-, and which may substituted by C₁-C₁₄alkyl, hydroxy-C₁-C₁₄alkyl, hydroxy, -NR₉R₁₀ or halogen; or C₆-C₁₀arylene, which may substituted by C₁-C₁₄alkyl, hydroxy-C₁-C₁₄alkyl, hydroxy, amino or halogen; W₁ is a cationic group; and R₃, R₄, R₅, R₆, R₇, R₈, R₉ and R₁₀ independently from each other are hydrogen; C₁-C₁₄alkyl; or Z; and An₁-, An₂- and An₃- independently from each other are an anion. The compounds are useful for dyeing of organic materials, such as keratin-containing fibers, wool, leather, silk, cellulose or polyamides, especially keratin-containing fibers, cotton or nylon, more preferably human hair.
  [FR] L'invention concerne des composés de formule (I) : dans laquelle D est un groupe aromatique ou hétéroaromatique cationique, lequel est éventuellement substitué par un alkyle en C₁-C₁₄, un alcoxy en C₁-C₁₄, un hydroxy(alkyle en C₁-C₁₄, un cycloalkyle en C₃-C₈, -CN, NO₂, -NR₃R₄, un halogène, un aryle en C₆-C₁₀, lequel est éventuellement substitué par un alkyle en C₁-C₁₄, ou par un ou plusieurs groupes Z; E₁ et E₂ représentent chacun indépendamment de l'autre =CH ou =N-; K est un groupe aromatique ou hétéroaromatique, lequel est éventuellement substitué par un alkyle en C₁-C₁₄, un alcoxy en C₁-C₁₄, un cycloalkyle en C₃-C₈, un aryle en C₆-C₁₀, un halogène, un hydroxy, NO₂, -NR₃R₄, -N(R₃)(CO)R₄, -SO₂NR₁R₂, -SONR₁R₂ ou par un ou plusieurs Z; ou un radical de formule -NR₁R₂; R₁ et R₂ représentent chacun indépendamment de l'autre un hydrogène, un alkyle en C₁-C₁₄, un cyclo(alkyle en C₁-C₁₄, un aryle en C₆-C₁₀, un groupe aromatique ou hétéroaromatique, lequel est éventuellement substitué par un alkyle en C₁-C₁₄, un alcoxy en C₁-C₁₄, un cycloalkyle en C₃-C₈, un aryle en C₆-C₁₀, un halogène, un hydroxy, -NR₅R₆, -N(R₅)-(CO)R₅ ou par Z; Z est un groupe de formule (1a) : *-X₁-Y₁-W₁, dans laquelle X₁ est une liaison directe, -NR₇-, -O-, -NR₇(C=O)-, -(CO)NR₇-, -O(C=O)-, -(CO)O- ou -(C=O)-; Y₁ est une liaison directe, un alkylène en C₁-C₁₂, lequel est éventuellement interrompu par -O-, -NR₈, -S-, -(C=O)-, -O(C=O)-, -(C=O)O-, -NR₇(C=O)-, -(C=O)NR₇- et lequel peut être substitué par un alkyle en C₁-C₁₄, un hydroxy(alkyle en C₁-C₁₄), un hydroxy, -NR₉R₁₀ ou un halogène; ou un arylène en C₆-C₁₀, lequel peut être substitué par un alkyle en C₁-C₁₄, un hydroxy(alkyle en C₁-C₁₄), un hydroxy, un amino ou un halogène; W₁ est un groupe cationique; et R₃, R₄, R₅, R₆, R₇, R₈, R₉ et R₁₀ représentent chacun indépendamment des autres un hydrogène, un alkyle en C₁-C₁₄ ou Z; et An₁-, An₂- et An₃- représentent chacun indépendamment des autres un anion. Les composés sont utiles pour teindre des matières organiques, telles que des fibres contenant de la kératine, de la laine, du cuir, de la soie, de la cellulose ou des polyamides, en particulier des fibres contenant de la kératine, du coton ou du nylon, de façon plus particulièrement préférable des cheveux humains.