2,4-二氯-6-甲氧基苯胺 | 93839-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,4-二氯-6-甲氧基苯胺
• 英文名称: 2,4-dichloro-6-methoxyaniline
• 英文别名: 2-amino-3,5-dichloroanisole
• CAS: 93839-14-6
• 化学式: C₇H₇Cl₂NO
• 分子量: 192.045
• InChiKey: NMGHEOHOYKBWEM-UHFFFAOYSA-N

物化性质

• 沸点：
  273.9±35.0 °C(Predicted)
• 密度：
  1.375±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-甲氧基苯胺 在 palladium on activated charcoal sodium hydroxide 、 甲烷磺酸 、 甲酸:三乙胺 1:1 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 24.0h， 生成 N-aceto-2-chloro-6-methoxyaniline
  参考文献：
  名称：

  Synthesis of 2,6-disubstituted and 2,3,6-trisubstituted anilines

  摘要：

  A number of 2,6-disubstituted and 2,3,6-trisubstituted anilines have been prepared via the selective para dehalogenation of the corresponding anilines. Modification of the substituents on the amino nitrogen demonstrates that the selectivity is derived from steric rather than electronic effects. The effects of the choice of formate hydrogen donor, Pd catalyst, solvent, and temperature upon the efficiency and selectivity of the dehalogenation are discussed.

  DOI：

  10.1016/s0040-4020(01)80400-2
• 作为产物：
  描述：

  3,5-二氯苯酚 在 tin 、 硫酸 、 potassium carbonate 、 sodium nitrite 作用下， 以 盐酸 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2,4-二氯-6-甲氧基苯胺
  参考文献：
  名称：

  Synthesis of deuterium labelled 4′-hydroxydiclofenac

  摘要：

  Diclofenac is a potentially useful substrate for the study of drug-drug interactions caused by modulation of the activity of specific isoforms of cytochrome P450. The synthesis of a deuterium labelled version of its principal human metabolite, 4'-hydroxydiclofenac, for use as an internal standard in LC-MLS-NS studies, is described.

  DOI：

  10.1002/(sici)1099-1344(199911)42:11<1075::aid-jlcr263>3.0.co;2-a

文献信息

• Synthesis of Sterically Hindered Polychlorinated Biphenyl Derivatives
  作者：H.-J. Lehmler、S. Joshi、S. Vyas、M. Duffel、S. Parkin

  DOI：10.1055/s-0030-1258454

  日期：2011.4

  A series of sterically hindered (methoxylated) polychlorinated biphenyl derivatives were synthesized using the Suzuki and the Ullmann coupling reactions. The Suzuki coupling with Pd(dba)2/2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl (DPDB) gave better yields (65-98%) compared to the classic Ullmann coupling reaction (20-38%). Despite the reactive catalyst system, no significant coupling with aromatic

  使用 Suzuki 和 Ullmann 偶联反应合成了一系列空间位阻（甲氧基化）多氯联苯衍生物。与经典的 Ullmann 偶联反应 (20-38%) 相比，Suzuki 与 Pd(dba) 2 /2-二环己基膦基-2',6'-二甲氧基联苯 (DPDB) 的偶联产生更好的产率 (65-98%)。尽管有反应性催化剂体系，但没有观察到与芳族氯取代基的显着偶联。四种 PCB 衍生物的晶体结构分析显示固态二面角范围为 69.7° 至 81.0°，这表明这些高度邻位取代的 PCB 衍生物具有一定的构象灵活性。 联芳基 - 钯 - Suzuki 交叉耦合 - Ullmann 交叉耦合 - 二面角
• Five-membered-ring compound
  申请人：——

  公开号：US20040072827A1

  公开（公告）日：2004-04-15

  A 5-membered cyclic compound of the formula: 1 wherein X is oxygen or sulfur, R 1 is hydrogen, substituted or unsubstituted alkyl, etc., R 2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y 1 is a direct bond, substituted or unsubstituted alkylene, —CO(CH 2 ) n —, etc., the wavy line means (E)-configuration or (Z)-configuration, R 3 is substituted or unsubstituted aryl, etc., Y 2 is substituted or unsubstituted alkylene, etc., R 4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R 5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  公式为1的五元环化合物，其中X是氧或硫，R1是氢，取代或未取代的烷基等，R2是氢，取代或未取代的烷基，取代或未取代的芳基等，Y1是直接键，取代或未取代的烷基，-CO(CH2)n-等，波浪线表示（E）构型或（Z）构型，R3是取代或未取代的芳基等，Y2是取代或未取代的烷基等，R4是氢，取代或未取代的脂肪酰基，取代或未取代的烷基等，R5是氢等，或其盐，这些化合物能够抑制白细胞浸润，如嗜酸性粒细胞和淋巴细胞，从而有助于治疗各种炎症。
• Five-membered cyclic compounds
  申请人：Fujiwara Norio

  公开号：US20050222226A1

  公开（公告）日：2005-10-06

  A 5-membered cyclic compound of the formula: wherein X is oxygen or sulfur, R 1 is hydrogen, substituted or unsubstituted alkyl, etc., R 2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y 1 is a direct bond, substituted or unsubstituted alkylene, —CO(CH 2 ) n —, etc., the wavy line means (E)-configuration or (Z)-configuration, R 3 is substituted or unsubstituted aryl, etc., Y 2 is substituted or unsubstituted alkylene, etc., R 4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R 5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  一种公式为的五元环化合物：其中X为氧或硫，R1为氢，取代或未取代的烷基等，R2为氢，取代或未取代的烷基，取代或未取代的芳基等，Y1为直接键，取代或未取代的烷基，-CO（CH2）n-等，波浪线表示（E）构型或（Z）构型，R3为取代或未取代的芳基等，Y2为取代或未取代的烷基等，R4为氢，取代或未取代的脂肪酰基，取代或未取代的烷基等，R5为氢等，或其盐，这些化合物能够抑制白细胞浸润，如嗜酸性粒细胞和淋巴细胞，因此对于治疗各种炎症是有用的。
• Benzimidazole derivatives, their preparation and use
  申请人：NEUROSEARCH A/S

  公开号：EP0477819A2

  公开（公告）日：1992-04-01

  A compound having the formula wherein R1 is hydrogen, NH2 or C1 6-alkyl which may be branched; X is O, S, NCN; Y is O, S; R4, R5, R6 and R7 independently of each other is hydrogen, halogen, CF3, N02, NH2, OH, C1 6-alkoxy, C(=O)-phenyl or S02NR'R" wherein R' and R" independently are hydrogen or C1 6-alkyl; R11 is hydrogen, halogen, N02 or S02NR'R" wherein R' and R" independently are hydrogen or C1 6-alkyl; R13 is hydrogen, halogen, phenyl, CF3, N02; R12 is hydrogen or together with R13 forms a C4 7- carbocyclic ring which may be aromatic or partial saturated; R14 is hydrogen or together with R13 forms a C4 7- carbocyclic ring which may be aromatic or partial saturated; further a method of treating a disease in a mammal, including a human, responsive to opening of potassium channels, which comprises administering to a mammal in need thereof an effective amount of a compound as first above.

  一种化合物，其化学式为 式中 R1 是氢、NH2 或 C1 6-烷基，可为支链； X 是 O、S、NCN Y 是 O、S R4、R5、R6 和 R7 各自是氢、卤素、CF3、N02、NH2、OH、C1 6-烷氧基、C(=O)-苯基或 S02NR'R"，其中 R' 和 R "各自是氢或 C1 6-烷基； R11 是氢、卤素、N02 或 S02NR'R"，其中 R' 和 R "各自是氢或 C1 6-烷基； R13 是氢、卤素、苯基、CF3、N02； R12 是氢，或与 R13 一起形成一个 C4 7-碳环，该碳环可以是芳香环或部分饱和环； R14 是氢，或与 R13 一起形成 C4 7-碳环，该环可以是芳香的或部分饱和的； 进一步一种治疗哺乳动物(包括人)中对钾通道开放有反应的疾病的方法，该方法包括向需要的哺乳动物施用有效量的上述第一种化合物。
• FIVE-MEMBERED-RING COMPOUND
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1300401A1

  公开（公告）日：2003-04-09

  A 5-membered cyclic compound of the formula: wherein X is oxygen or sulfur, R1 is hydrogen, substituted or unsubstituted alkyl, etc., R2 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, etc., Y1 is a direct bond, substituted or unsubstituted alkylene, -CO(CH2)n-, etc., the wavy line means (E)-configuration or (Z)-configuration, R3 is substituted or unsubstituted aryl, etc., Y2 is substituted or unsubstituted alkylene, etc., R4 is hydrogen, substituted or unsubstituted alkanoyl, substituted or unsubstituted alkyl, etc., R5 is hydrogen, etc., or a salt thereof, these compound being able to inhibit infiltration of leukocytes such as eosinophils and lymphocytes, by which being useful for the treatment of various kinds of inflammation.

  式中的五元环状化合物： 其中X为氧或硫，R1为氢、取代或未取代的烷基等，R2为氢、取代或未取代的烷基、取代或未取代的芳基等，Y1为直接键、取代或未取代的亚烷基、-CO(CH2)n-等，波浪线表示(E)-构型或(Z)-构型，R3为取代或未取代的芳基等、Y2 是取代或未取代的亚烷基等，R4 是氢、取代或未取代的烷酰基、取代或未取代的烷基等，R5 是氢等，或它们的盐，这些化合物能够抑制嗜酸性粒细胞和淋巴细胞等白细胞的浸润，可用于治疗各种炎症。