2-acetoacetamido-6-chlorobenzothiazole | 82789-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-acetoacetamido-6-chlorobenzothiazole
• 英文别名: N-(6-chloro-benzothiazol-2-yl)-acetoacetamide；N-(6-Chlor-benzothiazol-2-yl)-acetoacetamid；2-acetoacetylamino-6-chlorobenzothiazole；N-(6-chloro-1,3-benzothiazol-2-yl)-3-oxobutanamide
• CAS: 82789-85-3
• 化学式: C₁₁H₉ClN₂O₂S
• 分子量: 268.724
• InChiKey: SDLOWZSOWOHKSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-acetoacetamido-6-chlorobenzothiazole 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole-4-carboxamide
  参考文献：
  名称：

  Ojha; Jaisinghani, Neera; Tahiliani, Heer, Journal of the Indian Chemical Society, 2002, vol. 79, # 2, p. 191 - 192

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-6-氯苯并噻唑 、 乙酰乙酸甲酯 反应 3.0h， 以85%的产率得到2-acetoacetamido-6-chlorobenzothiazole
  参考文献：
  名称：

  Ojha; Jaisinghani, Neera; Tahiliani, Heer, Journal of the Indian Chemical Society, 2002, vol. 79, # 2, p. 191 - 192

  摘要：

  DOI：

文献信息

• [EN] MONOAZOQUINOLONE PIGMENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE<br/>[FR] PIGMENTS DE MONOAZOQUINOLONE, LEUR PROCEDE DE PREPARATION ET LEUR UTILISATION
  申请人：CIBA SC HOLDING AG

  公开号：WO2004085540A1

  公开（公告）日：2004-10-07

  Monoazoquinolone pigments which, in one of their tautomeric forms, correspond to formula (1), wherein W is unsubstituted or substituted C6-C24aryl or unsubstituted or substituted heteroaryl or is a radical of formula (1a), wherein Ar2 is unsubstituted or substituted C6-C24aryl or unsubstituted or substituted heteroaryl, Ar1 is unsubstituted or substituted C6-C24aryl or unsubstituted or substituted heteroaryl, R, R1 and R2 are each independently of the others hydrogen, C1-C6alkyl, halogen, cyano, CF3, nitro, NR3R4, COOR4, NR4COR3, COO-X+, COR4, OR4, SR3, S02R3, SO2NR3R4, SO3-X+, or C6-C24aryl which is unsubstituted or mono- or poly­substituted by R5, R3 is C1-C6alkyl, or C6-C12aryl which is unsubstituted or mono- or poly-substituted by halogen, hydroxy, OR7, cyano, nitro, SR7, NR6R7, COOR7, CONR6R7, NR6COR7, NR6COOR7, COO-X+, COR4, OR4, SO2R7, SO2NR6R7, SO3-X+ or by S03R7, R4 is hydrogen or has the meanings of R3, R5 is hydrogen, C1-C4alkyl, halogen, nitro, NR7R8 or OR7, R6 is hydrogen or C1-C3alkyl, R7 and R8 are each independently of the other hydrogen; C1-C3alkyl; phenyl which is unsubstituted or mono- or poly-substituted by halogen, nitro, OR5, NR16R17; or benzyl which is unsubstituted or mono- or poly-substituted by halogen, nitro, OR5, NR16R17, and X+ is a cation H+, Li+, Na+, K+, Mg++1/2, Ca++1/2, Sr++1/2, Ba++1/2, Cu+, Cu++1/2, Zn++1/2, Mn++1/2, Al +++1/3 or [NR9R10R11R12]+, wherein R9, R10, R11 and R12 are each independently of the others hydrogen; C1-C6alkyl; phenyl which is unsubstituted or mono- or poly-substituted by C1-C6alkyl, halogen, nitro, OR5, NR16R17; or benzyl which is unsubstituted or mono- or poly-substituted by C1-C6alkyl, halogen, nitro, OR5, NR16R17, and R16 and R17 are each independently of the other hydrogen or C1-C6alkyl, are suitable for the colouring of high molecular weight material and are distinguished by good fastness properties of the resulting colourations.

  单氮基喹啉酮颜料，在它们的互变异构形式之一中，对应于式（1），其中W是未取代或取代的C6-C24芳基或未取代或取代的杂环芳基，或是式（1a）中的基团，其中Ar2是未取代或取代的C6-C24芳基或未取代或取代的杂环芳基，Ar1是未取代或取代的C6-C24芳基或未取代或取代的杂环芳基，R、R1和R2分别独立地是氢、C1-C6烷基、卤素、氰基、CF3、硝基、NR3R4、COOR4、NR4COR3、COO-X+、COR4、OR4、SR3、S02R3、SO2NR3R4、SO3-X+或未取代或经R5单取代或多取代的C6-C24芳基，R3是C1-C6烷基，或未取代或经卤素、羟基、OR7、氰基、硝基、SR7、NR6R7、COOR7、CONR6R7、NR6COR7、NR6COOR7、COO-X+、COR4、OR4、SO2R7、SO2NR6R7、SO3-X+或S03R7单取代或多取代的C6-C12芳基，R4是氢或具有R3的含义，R5是氢、C1-C4烷基、卤素、硝基、NR7R8或OR7，R6是氢或C1-C3烷基，R7和R8分别独立地是氢、C1-C3烷基、未取代或经卤素、硝基、OR5、NR16R17单取代或多取代的苯基，或未取代或经卤素、硝基、OR5、NR16R17单取代或多取代的苄基，X+是H+、Li+、Na+、K+、Mg++1/2、Ca++1/2、Sr++1/2、Ba++1/2、Cu+、Cu++1/2、Zn++1/2、Mn++1/2、Al+++1/3或[NR9R10R11R12]+，其中R9、R10、R11和R12分别独立地是氢、C1-C6烷基、未取代或经C1-C6烷基、卤素、硝基、OR5、NR16R17单取代或多取代的苯基，或未取代或经C1-C6烷基、卤素、硝基、OR5、NR16R17单取代或多取代的苄基，R16和R17分别独立地是氢或C1-C6烷基，适用于高分子量材料的着色，并以所得色彩的良好牢度特性而著称。
• Heterocyclen enthaltende Monoazopigmente, Verfahren zu deren Herstellung und deren Verwendung
  申请人：CIBA-GEIGY AG

  公开号：EP0051560A1

  公开（公告）日：1982-05-12

  Verbindung der Formel I worin die Symbole Z, Ri, R2, m und n die im Patentanspruch 1 angegebene Bedeutung haben, eignen sich als hochwertige Pigmente zum Färben von hochmolekularem organischem Material. Sie zeichnen sich insbesondere durch hohe Migrationsechtheit, Ueberlackierbeständigkeit, sowie Wetter- und Lichtbeständigkeit aus.

  式 I 的化合物 其中符号 Z、Ri、R2、m 和 n 的含义如权利要求 1 所述。它们尤其具有高迁移牢度、耐罩光性、耐候性和耐光性。
• Monoazoquinolone pigments, process for their preparation and their use
  申请人：Benkhoff Johannes

  公开号：US20060219134A1

  公开（公告）日：2006-10-05

  Monoazoquinolone pigments which, in one of their tautomeric forms, correspond to formula (1), wherein W is unsubstituted or substituted C 6 -C 24 aryl or unsubstituted or substituted heteroaryl or is a radical of formula (1a), wherein Ar 2 is unsubstituted or substituted C 6 -C 24 aryl or unsubstituted or substituted heteroaryl, Ar 1 is unsubstituted or substituted C 6 -C 24 aryl or unsubstituted or substituted heteroaryl, R, R 1 , and R 2 are each independently of the others hydrogen, C 1 -C 6 alkyl, halogen, cyano, CF 3 , nitro, NR 3 R 4 , COOR 4 , NR 4 COR 3 , COO − X + , COR 4 , OR 4 , SR 3 , SO 2 R 3 , SO 2 NR 3 R 4 , SO 3 −X + , or C 6 -C 24 aryl which is unsubstituted or mono- or polysubstituted by R 5 , R 3 is C 1 -C 6 alkyl, or C 6 -C 12 aryl which is unsubstituted or mono- or poly-substituted by halogen, hydroxy, OR 7 , cyano, nitro, SR 7 , NR 6 R 7 , COOR 7 , CONR 6 R 7 , NR 6 COR 7 , NR 6 COOR 7 , COO − X + , COR 4 , OR 4 , SO 2 R 7 , SO 2 NR 6 R 7 , SO 3 − X + or by SO 3 R 7 , R 4 is hydrogen or has the meanings of R 3 , R 5 is hydrogen, C 1 -C 4 alkyl, halogen, nitro, NR 7 R 8 or OR 7 , R 6 is hydrogen or C 1 -C 3 alkyl, R 7 and R 8 are each independently of the other hydrogen; C 1 -C 3 alkyl; phenyl which is unsubstituted or mono- or poly-substituted by halogen, nitro, OR 5 , NR 16 R 17 ; or benzyl which is unsubstituted or mono- or poly-substituted by halogen, nitro, OR 5 , NR 16 R 17 , and X + is a cation H + , Li + , Na + , K + , Mg ++ 1/2 , Ca ++ 1/2 , Sr ++ 1/2 , Ba ++1/2 , Cu + , Cu ++ 1/2 , Zn ++ 1/2 , Mn ++ 1/2 , Al +++ 1/3 or [NR 9 R 10 R 11 R 12 ] + , wherein R 9 , R 10 , R 11 and R 12 are each independently of the others hydrogen; C 1 -C 6 alkyl; phenyl which is unsubstituted or mono- or poly-substituted by C 1 -C 6 alkyl, halogen, nitro, OR 5 , NR 16 R 17 ; or benzyl which is unsubstituted or mono- or poly-substituted by C 1 -C 6 alkyl, halogen, nitro,OR 5 , NR 16 R 17 , and R 16 and R 17 are each independently of the other hydrogen or C 1 -C 6 alkyl, are suitable for the colouring of high molecular weight material and are distinguished by good fastness properties of the resulting colourations.

  单偶氮喹啉酮颜料，其同分异构体形式之一符合式 (1)，其中 W 是未取代或取代的 C 6 -C 24 芳基或未取代或取代的杂芳基，或为式 (1a) 的基团，其中 Ar 2 是未取代或取代的 C 6 -C 24 芳基或未取代或取代的杂芳基，Ar 1 是未取代或取代的 C 6 -C 24 芳基或未取代或取代的杂芳基，R、R 1 和 R 2 各自独立地为氢、C 1 -C 6 烷基、卤素、氰基、CF 3 硝基、NR 3 R 4 、COOR 4 , NR 4 COR 3 , COO - X + , COR 4 , OR 4 , SR 3 , SO 2 R 3 , SO 2 NR 3 R 4 , SO 3 -X + 或 C 6 -C 24 未被取代或被 R 5 , R 3 是 C 1 -C 6 烷基，或 C 6 -C 12 未被取代或被卤素、羟基、OR 7 、氰基、硝基、SR 7 、NR 6 R 7 , COOR 7 , CONR 6 R 7 , NR 6 COR 7 , NR 6 COR 7 , COO - X + , COR 4 , OR 4 , SO 2 R 7 , SO 2 NR 6 R 7 , SO 3 - X + 或 SO 3 R 7 , R 4 是氢或具有 R 3 , R 5 是氢、C 1 -C 4 烷基、卤素、硝基、NR 7 R 8 或 OR 7 , R 6 是氢或 C 1 -C 3 烷基，R 7 和 R 8 各自独立地为氢；C 1 -C 3 烷基；未被取代或被卤素、硝基、OR 5 、NR 16 R 17 或未被卤素、硝基、OR 5 、NR 16 R 17 和 X + 是阳离子 H + , Li + , Na + , K + , Mg ++ 1/2 , Ca ++ 1/2 , Sr ++ 1/2 钡 ++1/2 , Cu + , Cu ++ 1/2 , Zn ++ 1/2 锰 ++ 1/2 , Al +++ 1/3 或 [NR 9 R 10 R 11 R 12 ] + 其中 R 9 , R 10 , R 11 和 R 12 各自独立地为氢； C 1 -C 6 烷基；未被 C 1 -C 6 烷基、卤素、硝基、OR 5 、NR 16 R 17 或未取代的苄基，或被 C 1 -C 6 烷基、卤素、硝基、OR 5 、NR 16 R 17 和 R 16 和 R 17 各自独立地为氢或 C 1 -C 6 烷基，适用于高分子量材料的着色，并具有良好的染色牢度特性。
• 2-acylacetylaminothiazole compounds
  申请人：GEN ANILINE WORKS INC

  公开号：US02093214A1

  公开（公告）日：1937-09-14
• MONOAZOQUINOLONE PIGMENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1606352A1

  公开（公告）日：2005-12-21