4-Acetamino-4.5.6.7-tetrahydro-benzothiophen | 58094-12-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 4-Acetamino-4.5.6.7-tetrahydro-benzothiophen
• 英文别名: N-acetyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-amine；N-Acetyl-4,5,6,7-tetrahydrobenzo[b]thien-4-amine；N-(4,5,6,7-tetrahydrobenzo[b]thien-4-yl)-acetamide；N-(4,5,6,7-tetrahydro-benzo[b]thiophen-4-yl)-acetamide；N-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-acetamid；N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
• CAS: 58094-12-5
• 化学式: C₁₀H₁₃NOS
• 分子量: 195.285
• InChiKey: VAXZXGLXBDGUOY-UHFFFAOYSA-N

物化性质

• 沸点：
  402.5±24.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Acetamino-4.5.6.7-tetrahydro-benzothiophen 生成 N-(4,5,6,7-四氢-7-氧代苯并[b]噻吩-4-基)-乙酰胺
  参考文献：
  名称：

  Process for preparing 4,5,6,7-tetrahydro-7-oxobenzo[b]thiophenes and

  摘要：

  提供了一种制备某些4,5,6,7-四氢-7-氧基苯并[b]噻吩或某些1,2,3,4-四氢-4-氧基萘的酰胺或脲衍生物的过程，该过程可用作动物生长调节剂。该过程包括：在钴催化剂存在下氧化具有以下式的化合物：其中R.sub.1和R.sub.2分别是从羰基C.sub.1-C.sub.7、卤代烷基C.sub.1-C.sub.7、羧烷氧基C.sub.1-C.sub.4、和R.sub.3选自氢和烷基C.sub.1-C.sub.4的取代基组成的羧基；R.sub.4选自氢、烷基C.sub.1-C.sub.8、羰基C.sub.2-C.sub.4、卤代烷基(C.sub.2-C.sub.4)、和当##STR5##基团环化时，每个代表从琥珀酰亚胺、马来酰亚胺和邻苯二甲酰亚胺组成的基团；X和Y分别是从氢、氟、氯、溴、碘、硝基、烷基C.sub.1-C.sub.4组成的基团中选择的基团；它们的外消旋混合物和光学异构体。

  公开号：

  US04332724A1
• 作为产物：
  描述：

  乙酸酐 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-Acetamino-4.5.6.7-tetrahydro-benzothiophen
  参考文献：
  名称：

  Synthesis of 4-Substituted Thianaphthene Derivatives

  摘要：

  DOI：

  10.1021/jo50017a009

文献信息

• Compositions containing 4,5,6,7-tetrahydrobenz[b]thien-4-yl-ureas or
  申请人：American Cyanamid Company

  公开号：US04036979A1

  公开（公告）日：1977-07-19

  This disclosure describes a novel method for improving feed efficiency and accelerating the growth rate of veterinary homothermic animals by administering to said animals a growth-promoting amount of a cycloalkano[b]thien-4-ylurea or thiourea.

  这份披露描述了一种新颖的方法，通过向兽医同温动物投予一定量的环戊烷基硫代脲或硫脲，以提高饲料效率并加快生长速度。
• 1-Benzoyl-3-(4,5,6,7-tetrahydrobenzo [b]thien-4-yl)ureas and
  申请人：American Cyanamid Company

  公开号：US04053484A1

  公开（公告）日：1977-10-11

  This invention relates to 1-benzoyl-3-(4,5,6,7-tetrahydrobenzo[b]thien-4-yl)urea, 1-benzoyl-3-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)urea, and derivatives thereof and a method for the preparation of said compounds and substituted derivatives. Both of the above referred-to compounds are novel and useful intermediates for the preparation of the corresponding tetrahydrobenzo[b]thien-4-ylurea and tetrahydro-7-oxobenzo[b]thien-4-ylurea, respectively. The latter compounds and certain derivatives thereof are animal growth promoting agents.

  本发明涉及1-苯甲酰基-3-(4,5,6,7-四氢苯并[b]噻吩-4-基)脲、1-苯甲酰基-3-(4,5,6,7-四氢-7-氧代苯并[b]噻吩-4-基)脲及其衍生物以及制备该化合物及其取代衍生物的方法。上述两种化合物均为新颖且有用的中间体，可用于制备相应的四氢苯并[b]噻吩-4-基脲和四氢-7-氧代苯并[b]噻吩-4-基脲。后者及其某些衍生物是动物生长促进剂。
• Process for preparation 4,5,6,7-tetrahydro-7-oxobenzo-[b]-thiophenes and
  申请人：American Cyanamid Company

  公开号：US04254268A1

  公开（公告）日：1981-03-03

  There is provided an oxidation process using potassium permanganate as oxidizing agent, for the preparation of certain animal growth promoters, namely, N-(4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl)amides, 4,5,6,7-tetrahydro-7-oxobenzo[b]-thien-4-ylureas, N-(1,2,3,4-tetrahydro-4-oxo-1-naphthyl)amides and 1,2,3,4-tetrahydro-4-oxo-1-naphthylureas, said process affording such compounds in markedly improved yields, and being readily suitable for scale-up.

  提供了一种使用高锰酸钾作为氧化剂的氧化过程，用于制备某些动物生长促进剂，即N-(4,5,6,7-四氢-7-氧代苯并[b]噻吩-4-基)酰胺，4,5,6,7-四氢-7-氧代苯并[b]噻吩-4-基脲，N-(1,2,3,4-四氢-4-氧代-1-萘基)酰胺和1,2,3,4-四氢-4-氧代-1-萘基脲，该过程大大提高了这些化合物的产量，并且易于扩大规模。
• Novel 4,5,6,7-tetrahydro-7-oxy(oxy)benzo [b]thiophen-4-amine compounds
  申请人：American Cyanamid Company

  公开号：US04134899A1

  公开（公告）日：1979-01-16

  This invention relates to novel derivatives of 4,5,6,7-tetrahydro-7-oxo(oxy)benzo[b]thiophen-4-amine which are useful as animal growth regulants, and a process for the preparation thereof. The above-identified compounds of this invention are also useful as intermediates for the preparation of 4,5,6,7-tetrahydro-7-oxo(oxy)benzo[b]thien-4-ylurea compounds.

  本发明涉及4,5,6,7-四氢-7-氧(氧)苯并[b]噻吩-4-胺的新衍生物，其可用作动物生长调节剂，并提供其制备方法。本发明中所述的上述化合物也可用作制备4,5,6,7-四氢-7-氧(氧)苯并[b]噻吩-4-基脲化合物的中间体。
• Process for oxidation of 4-amidotetrahydrobenzo [b]-thiophenes to 7-keto
  申请人：American Cyanamid Company

  公开号：US04199510A1

  公开（公告）日：1980-04-22

  There is provided a process for the preparation of an amido or an ureido derivative of certain 4,5,6,7-tetrahydro-7-oxobenzo[b]thiophenes or certain 1,2,3,4-tetrahydro-4-oxonaphthalenes which can be employed as an animal growth regulant. The process comprises: oxidizing in the presence of a cobaltic carboxylate reactant and in the absence or presence of air, a compound having the formula: ##STR1## wherein R.sub.1 and R.sub.2 are each a substituent selected from the group consisting of alkanoyl C.sub.1 -C.sub.7, halogen-substituted alkanoyl C.sub.1 -C.sub.7, carboalkoxy C.sub.1 -C.sub.4, ##STR2## and ##STR3## R.sub.3 is selected from the group consisting of hydrogen and alkyl C.sub.1 -C.sub.4 ; R.sub.4 is selected from the group consisting of hydrogen, alkyl C.sub.1 -C.sub.8, alkanoyl C.sub.2 -C.sub.4, halogen-substituted alkanoyl (C.sub.2 -C.sub.4), and ##STR4## and when the ##STR5## moiety is cyclized each represents a moiety selected from the group consisting of succinimido, maleimido and phthalimido; X and Y are each a radical selected from the group consisting of hydrogen, fluorine, chlorine, bromine, iodine, nitro, alkyl C.sub.1 -C.sub.4 ; the racemic mixtures and the optical isomers thereof.

  提供了一种制备某些4,5,6,7-四氢-7-氧代苯并[b]噻吩或某些1,2,3,4-四氢-4-氧代萘的酰胺或脲衍生物的方法，可用作动物生长调节剂。该方法包括：在钴羧酸盐反应物的存在下，在空气存在或不存在的情况下，氧化具有以下式子的化合物：##STR1##其中R.sub.1和R.sub.2均为选自羰基C.sub.1-C.sub.7，卤代羰基C.sub.1-C.sub.7，羧基烷氧基C.sub.1-C.sub.4，##STR2##和##STR3##的取代基；R.sub.3选自氢和烷基C.sub.1-C.sub.4；R.sub.4选自氢，烷基C.sub.1-C.sub.8，羰基烷C.sub.2-C.sub.4，卤代羰基（C.sub.2-C.sub.4）和##STR4##当##STR5##基团环化时，每个表示选自琥珀酰亚胺基，马来酰亚胺基和邻苯二甲酰亚胺基的基团；X和Y分别为选自氢，氟，氯，溴，碘，硝基，烷基C.sub.1-C.sub.4的基团；其外消旋混合物和其光学异构体。