1-Isopropyl-tetrazol-5-thiol | 7624-32-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Isopropyl-tetrazol-5-thiol
• 英文别名: 1-isopropyl-1H-tetrazole-5-thiol；1-isoprophyl-1H-tetrazole-5-thiol；1-propan-2-yl-2H-tetrazole-5-thione
• CAS: 7624-32-0
• 化学式: C₄H₈N₄S
• mdl: MFCD08271783
• 分子量: 144.2
• InChiKey: SANFJGZEVHYFAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 1-Isopropyl-tetrazol-5-thiol 以 水 为溶剂， 以92.4%的产率得到1-{4-[(E)-(4-乙基苯基)二氮烯基]苯基}吡咯烷
  参考文献：
  名称：

  Neue 1H-Tetrazol-5-thiol-Derivate als Pestizide, 2. Mitt. Cyanimidodithiokohlens�ureester

  摘要：

  Depending on the reaction conditions, tetrazoles and tetrazolines were synthesized from 1H-tetrazol-5-thiol derivatives. The heteroring was substituted by cyanodithioimidocarbonate to give either -S-CH2-S- or -S-CH2-N=derivatives. Many of them show fungicide activity.

  DOI：

  10.1007/bf00811024

文献信息

• 5-((3-Bromoallyl)Sulfonyl)-1H-Tetrazoles for Bromodiene Synthesis
  作者：Shigeki Matsunaga、Takuro Suzuki、Seiya Fukagawa、Tatsuhiko Yoshino、Masahiro Anada

  DOI：10.3987/com-18-s(t)90

  日期：——

  Reagents for one-step construction of conjugated bromodienes from aldehydes are described. Various 1-alkyl- and 1-aryl-tetrazoyl bromoallylic sulfones were synthesized and evaluated in bromodiene synthesis. 1-Alkyl-tetrazoyl sulfones selectively afforded (1E,3Z)-bromodienes, while 1-aryl-tetrazoyl sulfones resulted in low selectivity.
• 1-Alkyl-5-((di)alkylamino) Tetrazoles: Building Blocks for Peptide Surrogates
  作者：Andriy V. Tymtsunik、Vitaliy A. Bilenko、Serhiy O. Kokhan、Oleksandr O. Grygorenko、Dmitriy M. Volochnyuk、Igor V. Komarov

  DOI：10.1021/jo2022235

  日期：2012.1.20

  An approach to the synthesis of 1-alkyl-5-((di)allcylamino)tetrazoles by nucleophilic substitution in 1-alkyl-5-sulfonyl-tetrazoles with anions generated from the primary secondary amines was developed. Tolerance of the method to the presence of some functional groups (i.e., protected amine) in both components of the reaction was demonstrated. Obtained tetrazoles are promising building blocks for the design of peptide surrogates, in particular, for replacement approaches of alkyl urea derivatives.
• Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles
  作者：Scott P. Webster、Margaret Binnie、Kirsty M.M. McConnell、Karen Sooy、Peter Ward、Michael F. Greaney、Andy Vinter、T. David Pallin、Hazel J. Dyke、Matthew I.A. Gill、Ines Warner、Jonathan R. Seckl、Brian R. Walker

  DOI：10.1016/j.bmcl.2010.04.055

  日期：2010.6

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.