2-乙基-6-氯-苯胺 | 102790-60-3

• 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: 2-乙基-6-氯-苯胺
• 英文名称: 2-chloro-6-ethylaniline
• 英文别名: 2-ethyl-6-chloro-aniline；2-Aethyl-6-chlor-anilin；2-ethyl-6-chloroaniline
• CAS: 102790-60-3
• 化学式: C₈H₁₀ClN
• 分子量: 155.627
• InChiKey: YJWWPPMNMFNBHX-UHFFFAOYSA-N

物化性质

• 沸点：
  230.6±20.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-乙基-6-氯-苯胺 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 16.5h， 生成 2-chloro-N-(2-chloro-6-ethylphenyl)-4-methoxypyrimidine-5-carboxamide
  参考文献：
  名称：

  PYRIMIDINE CARBOXAMIDE COMPOUNDS

  摘要：

  Pyrimidinyl compounds of formula I: (I), for use in methods of inhibiting Wee 1 A kinase.

  公开号：

  WO2024145505A1
• 作为产物：
  描述：

  2-氯-6-碘苯胺 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 palladium 10% on activated carbon 、 氢气 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 32.0h， 生成 2-乙基-6-氯-苯胺
  参考文献：
  名称：

  PYRIMIDINE CARBOXAMIDE COMPOUNDS

  摘要：

  Pyrimidinyl compounds of formula I: (I), for use in methods of inhibiting Wee 1 A kinase.

  公开号：

  WO2024145505A1

文献信息

• [EN] SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME<br/>[FR] INHIBITEURS SÉLECTIFS DE L'INFLAMMASOME NLRP3
  申请人：NODTHERA LTD

  公开号：WO2019025467A1

  公开（公告）日：2019-02-07

  The present disclosure relates to compounds of Formula (I): (I); and to their pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as autoinflammatory and autoimmune diseases and cancers.

  本公开涉及式(I)化合物：(I)；及其药用可接受盐、药物组合物、使用方法和制备方法。所公开的化合物可用于通过抑制炎症小体来抑制IL-1家族细胞因子的成熟，并可用于治疗炎症小体活性涉及的疾病，如自炎性和自身免疫疾病以及癌症。
• METHOD FOR PRODUCING NITROBENZENE COMPOUND
  申请人：Tani Shinki

  公开号：US20140163256A1

  公开（公告）日：2014-06-12

  A method for producing a nitrobenzene compound represented by general formula (2), wherein R 1 and R 5 are the same or different, and each is a halogen atom or another functional group, and R 2 , R 3 , and R 4 are the same or different, and each is a hydrogen atom or another functional group, comprises oxidizing an aniline compound represented by general formula (1), wherein R 1 , R 2 , R 3 , R 4 , and R 5 are the same as described above, with hydrogen peroxide in the presence of a tungsten compound under an acidic condition, followed by oxidation with hydrogen peroxide under a neutral to alkaline condition.

  一种用于制备由通式（2）表示的硝基苯化合物的方法，其中R1和R5相同或不同，每个是卤素原子或另一个官能团，而R2、R3和R4相同或不同，每个是氢原子或另一个官能团，包括在酸性条件下在钨化合物存在下用过氧化氢氧化由通式（1）表示的苯胺化合物，其中R1、R2、R3、R4和R5与上述相同，随后在中性至碱性条件下用过氧化氢氧化。
• Process for the catalytic debromination of halogenated monocyclic aromatic compounds
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0593251A1

  公开（公告）日：1994-04-20

  A process for the bromination of a monocyclic aromatic compound and its regiospecific chlorination. The halogenation reactions are carried out in a protonic solvent which is replaced by a polar solvent without isolation of the halogenation reaction product. The halogenation reaction product is then catalytically debrominated.

  一种单环芳烃化合物的溴化和其区域特异性氯化的过程。卤化反应在质子溶剂中进行，该溶剂被极性溶剂取代，而无需分离卤化反应产物。然后对卤化反应产物进行催化去溴反应。
• Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives
  申请人：——

  公开号：US20040158080A1

  公开（公告）日：2004-08-12

  Process for the preparation of compounds of formula (I) wherein R is halogen, R 1 O 1 R 1 S(O) n or (R 1 ) 2 NC(X)O; R 1 is C 1 -C 8 alkly, aryl-C 1 -C 8 alkyl, C 1 -C 8 haloalkyl or aryl; n is 0, 1, 2 or 3; X is O or S; and R 2 is hydrogen, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl, in which process, in a solvent, (1) an aniline derivative of formula (IV) wherein R is as defined above, and R 3 is C 1 -C 5 alkyl or C 1 -C 5 haloalkyl, is diazotised in the presence of a mineral acid to form the corresponding diazonium salt of formul (II) wherein R and R 3 are as defined above, A m− is an anion, and m is 1 or 2, (2) the resulting diazonium salt of formula (II) is carbonylated in the presence of a catalyst, CO and optionally a buffer, to form a benzoic acid derivative of formula (III) wherein R and R 3 are as defined above, and (3) the benzoic acid derivative of formula (III) is then subjected to benzylic lactonisation in the ortho-position alkyl chain R 3 in the presence of a free-radical initiator and a halogenating agent.

  制备式（I）化合物的过程，其中R为卤素，R1O1R1S（O）nor（R1）2NC（X）O; R1为C1-C8烷基，芳基-C1-C8烷基，C1-C8卤代烷基或芳基; n为0、1、2或3; X为O或S; R2为氢、C1-C4烷基或C1-C4卤代烷基，在该过程中，在溶剂中，（1）式（IV）的苯胺衍生物其中R如上所述，R3为C1-C5烷基或C1-C5卤代烷基，在矿酸存在下重氮化，形成相应的重氮盐式（II）其中R和R3如上所述，Am−为阴离子，m为1或2，（2）式（II）的重氮盐在催化剂、CO和可选缓冲剂的存在下进行羰基化，形成苯甲酸衍生物式（III）其中R和R3如上所述，（3）苯甲酸衍生物式（III）在自由基引发剂和卤代剂的存在下，在正交位烷基链R3中进行苯基内酯化。
• PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES
  申请人：Schnyder Anita

  公开号：US20080097111A1

  公开（公告）日：2008-04-24

  The present invention relates to a first compound having the formula wherein R is halogen, R 1 S(O) n or (R 1 ) 2 NC(X)O; R 1 is C 1 -C 8 alkyl, C 1 -C 8 haloalkyl, aryl-C 1 -C 8 -alkyl or aryl; n is 0, 1, 2 or 3; X is O or S; and R 3 is C 2 -C 5 alkyl or C 1 -C 5 haloalkyl, or a salt thereof. The present invention is also directed to a second compound having the formula wherein R is fluorine, bromine, iodine, R 1 S(O) n or (R 1 ) 2 NC(X)O; R 1 is C 1 -C 8 alkyl, C 1 -C 8 haloalkyl, aryl-C 1 -C 8 alkyl or aryl; n is 0, 1, 2 or 3; X is O or S; and R 2 is hydrogen, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl, with the proviso that R 1 is different from C 1 -C 8 alkyl or aryl if X is S, R is different from iodine if R 2 is methyl, and R is different from fluorine, bromine or iodine if R 2 is hydrogen.

  本发明涉及一种具有以下式的第一化合物： 其中R为卤素，R1S（O）nor（R1）2NC（X）O; R1为C1-C8烷基，C1-C8卤代烷基，芳基-C1-C8-烷基或芳基; n为0，1，2或3; X为O或S; R3为C2-C5烷基或C1-C5卤代烷基，或其盐。本发明还涉及一种具有以下式的第二化合物： 其中R为氟、溴、碘、R1S（O）nor（R1）2NC（X）O; R1为C1-C8烷基，C1-C8卤代烷基，芳基-C1-C8-烷基或芳基; n为0，1，2或3; X为O或S; R2为氢、C1-C4烷基或C1-C4卤代烷基，但R1与若X为S，则与C1-C8烷基或芳基不同；若R2为甲基，则R与碘不同；若R2为氢，则R与氟、溴或碘不同。