4-Pentylmercapto-phenol | 18979-82-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-Pentylmercapto-phenol
• 英文别名: 4-pentylsulfanyl-phenol；Pentyl-(4-hydroxy-phenyl)-sulfid；4-Hydroxy-1-pentylmercapto-benzol；4-Pentylthiophenol；4-pentylsulfanylphenol
• CAS: 18979-82-3
• 化学式: C₁₁H₁₆OS
• 分子量: 196.313
• InChiKey: APUBSBXIUJQICG-UHFFFAOYSA-N

物化性质

• 熔点：
  55-56 °C
• 沸点：
  319.3±25.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 4-Pentylmercapto-phenol 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以71%的产率得到(2R,3'R,4'S,5'S,6'R)-3',4',5'-tris(benzyloxy)-6'-((benzyloxy)methyl)-6-(pentylthio)-3',4',5',6'-tetrahydrospiro[chromane-2,2'-pyran]
  参考文献：
  名称：

  1,7-二氧杂螺[5.5]十一烷和1-氧杂-7- thiaspiro [5.5]十一烷从合成外型-glycal

  摘要：

  在路易斯酸BF 3 ·存在下，exo- glycal与芳基醇或硫酚反应，开发了一种新的螺环化反应，用于合成1,7-二氧杂螺[5.5]十一烷和1-oxa-7-硫杂螺[5.5]十一烷。 OEt 2。反应通过串联的Ferrier重排，糖基化和Friedel-Crafts烷基化进行，以提供具有良好收率的优良产物。

  DOI：

  10.1016/j.tet.2010.04.075
• 作为产物：
  描述：

  对氨基苯酚 在 盐酸 作用下， 生成 4-Pentylmercapto-phenol
  参考文献：
  名称：

  Hydroxyphenyl Alkyl Sulfides¹

  摘要：

  DOI：

  10.1021/ja01330a061

文献信息

• Synthesising Method and Benzoxathiepine Intermediates
  申请人：Vacher Bernard

  公开号：US20080234499A1

  公开（公告）日：2008-09-25

  The invention relates to preparing derivatives of formula (1), wherein, in particular R 1 and R 2 , identical or different, represent a hydrogen, flourine or chlorine atom, a hydroxy group, an alkyl radical and an alkoxy radical, R 3 is an alkyl radical, a hydroxy group, or a methoxy radical, R 4 is a hydrogen atom or a methyl radical and R 5 and R 6 , identical or different, represent a hydrogen atom, an alkyl radical, an alkoxy radical, an alkylthio radical, and an alkylamino radical. The inventive method consists in reducing an amid of formula (9).

  该发明涉及制备式（1）的衍生物，其中，特别是R1和R2，相同或不同，代表氢、氟或氯原子、羟基、烷基基团和烷氧基团，R3是烷基基团、羟基或甲氧基团，R4是氢原子或甲基基团，R5和R6，相同或不同，代表氢原子、烷基基团、烷氧基团、烷硫基团和烷基氨基团。该创新方法在于还原式（9）的酰胺。
• Preparation of ortho-(alkyl-or arylthio) phenols
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0369074A1

  公开（公告）日：1990-05-23

  Strong acids, e.g., aluminosilicates and sulfonic acids are employed as catalysts for the (alkyl or aryl)thiolation of phenols using dialkyl or diaryl disulfides and/or (alkyl- or arylthio)phenols as thiolating agents, and for the isomerization of (alkyl- or arylthio)phenols, to prepare ortho-­(alkyl- or arylthio)phenols as the predominant products.

  强酸，例如铝硅酸盐和磺酸，被用作催化剂，用双烷基或双芳基二硫化物和/或(烷基或芳基硫)酚作为硫化剂，对酚进行(烷基或芳基)硫化，并对(烷基或芳基硫)酚进行异构化，制备以邻位-(烷基或芳基硫)酚为主要产物。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267A1

  公开（公告）日：2005-07-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and a typical acid-fast bacteria.

  本发明提供了由以下通式代表的 2，3-二氢-6-硝基咪唑并[2，1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和典型的耐酸细菌有很好的杀菌作用。
• 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP2570418A2

  公开（公告）日：2013-03-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下通式表示的 2,3-二氢-6-硝基咪唑并[2,1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型耐酸菌有很好的杀菌作用。