4,5,6,7-Tetrahydrobenzo[b]thien-4-ylisocyanate | 58093-92-8

• 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: 4,5,6,7-Tetrahydrobenzo[b]thien-4-ylisocyanate
• 英文别名: 4-Isocyanato-4,5,6,7-tetrahydro-1-benzothiophene
• CAS: 58093-92-8
• 化学式: C₉H₉NOS
• mdl: MFCD18269717
• 分子量: 179.243
• InChiKey: KWCVBPCODOEVHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  286.0±28.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5,6,7-Tetrahydrobenzo[b]thien-4-ylisocyanate 、 甲氧基胺盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-Methoxy-3-(4,5,6,7-tetrahydrobenzo[b]thien-4-yl)urea
  参考文献：
  名称：

  Compositions containing 4,5,6,7-tetrahydrobenz[b]thien-4-yl-ureas or

  摘要：

  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。

  公开号：

  US04036979A1
• 作为产物：
  描述：

  4,5,6,7-tetrahydrobenzo[b]thiophen-4-amine hydrochloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 4,5,6,7-Tetrahydrobenzo[b]thien-4-ylisocyanate
  参考文献：
  名称：

  Compositions containing 4,5,6,7-tetrahydrobenz[b]thien-4-yl-ureas or

  摘要：

  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。

  公开号：

  US04036979A1

文献信息

• Benzothienylisocyanates and isothiocyanates and method of preparation
  申请人：American Cyanamid Company

  公开号：US03944567A1

  公开（公告）日：1976-03-16

  This invention relates to 4,5,6,7-tetrahydrobenzo[b]b]thien-4-yl isocyanates and 4,5,6,7-tetrahydrobenzo[b]thien-4-yl isothiocyanates and methods for the preparation thereof. These compounds are useful in the manufacture of substituted urea derivatives which are useful as animal growth regulants and herbicides.

  本发明涉及4,5,6,7-四氢苯并[b]噻吩-4-基异氰酸酯和4,5,6,7-四氢苯并[b]噻吩-4-基异硫氰酸酯及其制备方法。这些化合物在制造取代脲衍生物方面非常有用，这些衍生物可用作动物生长调节剂和除草剂。
• Substituted tetrahydrobenzothiophenes and method of preparation thereof
  申请人：American Cyanamid Company

  公开号：US04156670A1

  公开（公告）日：1979-05-29

  This disclosure describes novel 4,5,6,7-tetrahydrobenzo[b]thien-4-ylureas useful as herbicidal agents and animal growth regulants and processes for the preparation thereof.

  本公开说明了作为除草剂和动物生长调节剂有用的新型4,5,6,7-四氢苯并[b]噻唑-4-基脲以及其制备方法。
• Benzothienylisothiocyanates
  申请人：American Cyanamid Company

  公开号：US03972895A1

  公开（公告）日：1976-08-03

  This invention relates to 4,5,6,7-tetrahydrobenzo[b]thien-4-yl isothiocyanates and methods for the preparation thereof. These compounds are useful in the manufacture of substituted urea derivatives which are useful as animal growth regulants and herbicides.

  本发明涉及4,5,6,7-四氢苯并[b]噻唑-4-基异硫氰酸酯及其制备方法。这些化合物可用于制造取代脲衍生物，这些衍生物可用作动物生长调节剂和除草剂。
• Substituted tetrahydrobenzothiophenes
  申请人：American Cyanamid Company

  公开号：US04191830A1

  公开（公告）日：1980-03-04

  This disclosure describes novel 4,5,6,7-tetrahydrobenzo[b]thien-4-ylureas useful as herbicidal agents and animal growth regulants and processes for the preparation thereof.

  本公开说明了一种新型的4,5,6,7-四氢苯并[b]噻唑-4-基脲，可用作除草剂和动物生长调节剂，并提供了其制备方法。
• Process for preparing 4,5,6,7-tetrahydro-7-oxobenzo[b]thiophenes and
  申请人：American Cyanamid Co.

  公开号：US04332724A1

  公开（公告）日：1982-06-01

  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 cobalt catalyst 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 hydr ogen, 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，该方法可用作动物生长调节剂。该方法包括：在钴催化剂存在下氧化具有以下式子的化合物：##STR1##其中R.sub.1和R.sub.2分别是从羧酸C.sub.1-C.sub.7，卤代烷基C.sub.1-C.sub.7，羧甲氧基C.sub.1-C.sub.4，##STR2##和##STR3##组成的取代基；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，酰基C.sub.2-C.sub.4，卤代酰基（C.sub.2-C.sub.4）和##STR4##当##STR5##基团环化时，每个基团代表从琥珀酰亚胺基，马来酰亚胺基和邻苯二甲酰亚胺基组成的基团；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，其为外消旋混合物和其光学异构体。