2,3,4-trichlorobenzaldehyde | 19361-59-2

• 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: 2,3,4-trichlorobenzaldehyde
• 英文别名: 4,5,6-trichlorobenzaldehyde；trichlorobenzaldehyde；2,3,4-trichloro-benzaldehyde；2,3,4-Trichlor-benzaldehyd；2.3.4-Trichlor-benzaldehyd；2,3,4-Trichlorbenzaldehyd
• CAS: 19361-59-2
• 化学式: C₇H₃Cl₃O
• 分子量: 209.459
• InChiKey: WMOOOIUXYRHDEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  86 °C
• 沸点：
  279.5±35.0 °C(Predicted)
• 密度：
  1.529±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3,4-trichlorobenzaldehyde 在 potassium permanganate 作用下， 生成 2,3,4-三氯苯甲酸
  参考文献：
  名称：

  Seelig, Justus Liebigs Annalen der Chemie, 1887, vol. 237, p. 163

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,4-三氯苯甲酸 在 manganese(IV) oxide 、 diborane(6) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 2,3,4-trichlorobenzaldehyde
  参考文献：
  名称：

  Inhibitors of phenylethanolamine N-methyltransferase and epinephrine biosynthesis. 1. Chloro-Substituted 1,2,3,4-tetrahydroisoquinolines

  摘要：

  In a search for inhibitors of epinephrine biosynthesis as potential therapeutic agents, a series of 13 ring-chlorinated 1,2,3,4-tetrahydroisoquinolines was prepared. These compounds were tested initially for their ability to inhibit rabbit adrenal phenylethanolamine N-methyltransferase (PNMT) in vitro. Enzyme-inhibitor dissociation constants, determined for the six most potent members of the series, indicated the following order of decreasing potency: 7,8-Cl2 greater than 6,7,8-Cl3 greater than 7-Cl approximately 5,6,7,8-Cl4 greater than 5,7,8-Cl3. These compounds were subsequently examined for PNMT-inhibiting activity in intact rats and mice. 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline (13, SK&F 64139) was the most potent member of the series both in vitro and in vivo and is currently undergoing clinical investigation.

  DOI：

  10.1021/jm00179a007

文献信息

• Control of fungi using phenylpropylammonium salts
  申请人：BASF Aktiengesellschaft

  公开号：US04472412A1

  公开（公告）日：1984-09-18

  A fungicidal agent contains a phenylpropylammonium salt of the formula ##STR1## where R.sup.1, R.sup.2 and R.sup.3 are each hydrogen, unsubstituted or substituted alkyl, unsubstituted or substituted aryl or aralkyl, cycloalkyl, alkoxy, acyl or halogen, R.sup.4 is alkyl, alkenyl or alkoxy, R.sup.5 is alkyl, alkenyl, alkynyl or unsubstituted or substituted aralkyl, R.sup.6 and R.sup.7 are each hydrogen, alkyl, CH.sub.2 OH or OH, X is CH.sub.2, O, S, C.dbd.O, (CH.sub.2).sub.2 or CH.sub.2 CH--R.sup.8 where R.sup.8 is alkyl, m is 0, 1 or 2, n is 0 or 1 and Y.crclbar. is the anion of a non-phytotoxic acid, with the proviso that the bond represented by the broken line may be hydrogenated if m is 0 or 1, and is always hydrogenated if m is 2.

  一种杀菌剂含有式##STR1##所示的苯基丙基铵盐，其中R1、R2和R3各自为氢、未取代或取代的烷基、未取代或取代的芳基或芳烷基、环烷基、烷氧基、酰基或卤素，R4为烷基、烯基或烷氧基，R5为烷基、烯基、炔基或未取代或取代的芳烷基，R6和R7各自为氢、烷基、CH2OH或OH，X为CH2、O、S、C=O、(CH2)2或CH2CH-R8，其中R8为烷基，m为0、1或2，n为0或1，Y-为非植物毒性酸的阴离子，条件是当m为0或1时，由虚线表示的键可以被氢化，当m为2时，该键总是被氢化。
• Indole derivatives
  申请人：——

  公开号：US20030078288A1

  公开（公告）日：2003-04-24

  The invention relates to new indole derivatives, processes for their preparation, and their use in medicaments.

  这项发明涉及新的吲哚衍生物，其制备方法以及它们在药物中的应用。
• Diphenyl derivatives
  申请人：——

  公开号：US20030105078A1

  公开（公告）日：2003-06-05

  The invention relates to novel diphenyl derivatives, to processes for their preparation and to their use in medicaments.

  这项发明涉及新型二苯基衍生物，涉及其制备工艺以及在药物中的应用。
• Preparation For Initiating Radical Reactions
  申请人：Weinmaier Josef Helmut

  公开号：US20110272628A1

  公开（公告）日：2011-11-10

  A preparation, comprising a mixture of dibenzoyl peroxides where the mixture of dibenzoyl peroxides contains 50 to 99.7 mole % of a symmetric dibenzoyl peroxide and 0.3 to 50 mole % asymmetric dibenzoyl peroxides, shows a reduced decomposition temperature of the peroxides compared to the symmetric dibenzoyl peroxide and is suitable for hot cross-linking silicone rubber. The preparation can be produced by reacting a mixture containing a first benzoyl chloride and a second benzoyl chloride that is different therefrom with hydrogen peroxide, wherein the mixture of benzoyl chlorides contains 70 to 99.7 mole % of the first benzoyl chloride and 0.3 to 30 mole % of the second benzoyl chloride.

  一种制备物，包括二苯甲酰过氧化物的混合物，其中二苯甲酰过氧化物的混合物含有50至99.7摩尔％的对称二苯甲酰过氧化物和0.3至50摩尔％的非对称二苯甲酰过氧化物，相比于对称二苯甲酰过氧化物具有降低的过氧化物分解温度，并适用于热交联硅橡胶。该制备物可以通过将含有第一苯甲酰氯和与其不同的第二苯甲酰氯的混合物与过氧化氢反应来制备，其中苯甲酰氯的混合物含有70至99.7摩尔％的第一苯甲酰氯和0.3至30摩尔％的第二苯甲酰氯。
• NOVEL ANTI-INFECTIVES
  申请人：——

  公开号：US20040010030A1

  公开（公告）日：2004-01-15

  Novel anti-infectives and methods of using them are provided.

  本发明提供了新型抗感染剂及其使用方法。