3-(acetylthiomethyl)pyridine | 121277-14-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(acetylthiomethyl)pyridine
• 英文别名: S-(Pyridin-3-ylmethyl) ethanethioate
• CAS: 121277-14-3
• 化学式: C₈H₉NOS
• 分子量: 167.232
• InChiKey: VEFLMRUZHJCHOS-UHFFFAOYSA-N

物化性质

• 沸点：
  275.9±23.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-(acetylthiomethyl)pyridine 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 3-吡啶甲烷硫醇(6ci,7ci,8ci,9ci)
  参考文献：
  名称：

  Inhibition of human cytomegalovirus protease N o with monocyclic β-lactams

  摘要：

  Monocyclic beta-lactams have been identified as potent and selective inhibitors of the human cytomegalovirus protease (HCMV) N-o. Two series of these inhibitors are described, a peptidyl series of compounds and non-peptidic molecules featuring lower molecular weights. The SAR work that lead to the discovery of these inhibitors, together with their synthesis is also disclosed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00240-6
• 作为产物：
  描述：

  3-吡啶甲醇 、 硫代乙酸 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 3-(acetylthiomethyl)pyridine
  参考文献：
  名称：

  Inhibition of human cytomegalovirus protease N o with monocyclic β-lactams

  摘要：

  Monocyclic beta-lactams have been identified as potent and selective inhibitors of the human cytomegalovirus protease (HCMV) N-o. Two series of these inhibitors are described, a peptidyl series of compounds and non-peptidic molecules featuring lower molecular weights. The SAR work that lead to the discovery of these inhibitors, together with their synthesis is also disclosed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00240-6

文献信息

• Ethers and thioethers having therapeutical activity, their preparation
  申请人：Boehringer Mannhein Italia, S.p.A.

  公开号：US04968706A1

  公开（公告）日：1990-11-06

  Compounds of formula I ##STR1## wherein Ar is an optionally substituted phenyl ring; B is a single bond, a group --(CH.sub.2 OCH.sub.2).sub.n being n=1 or 2, a 2,4-disubstituted-1,3-dioxolane ring or a 2,4-disubstituted-1,3-thioxolane ring, R is a single bond, an optionally substituted methylene or ethylene group and T is 2-, 3- or 4-pyridyl, an optionally salified or esterified carboxy group or a carboxyamide group. Said compounds are useful in treatment of respiratory diseases.

  式I的化合物 其中Ar是可选择取代的苯环；B是一个单键，一个基团--(CH.sub.2 OCH.sub.2).sub.n，其中n=1或2，一个2,4-二取代-1,3-二氧兰环或一个2,4-二取代-1,3-硫代二氧兰环，R是一个单键，一个可选择取代的亚甲基或乙烯基团，T是2-、3-或4-吡啶基，一个可选择盐化或酯化的羧基或一个羧酰胺基团。这些化合物在治疗呼吸系统疾病中有用。
• Hydroformylation of Alkynyl Sulfides: A Stereo‐ and Regioselective Route to α‐Sulfenyl Acroleins
  作者：Patrick Wagner、Mihaela Gulea、Nicolas Girard

  DOI：10.1002/adsc.202301349

  日期：2024.3.19

  sulfides. Additionally, one can take advantage of the possibility of the sulfur oxidation to obtain an alkenyl sulfoxide or sulfone, and so altering the electronic behavior of the carbon-carbon double bond. So far, the synthesis of α-sulfanyl acroleins (Scheme 1) is mainly based on general methods involving the incorporation of the sulfur function into an α,β-unsaturated aldehyde as a nucleophile (Scheme 1

  描述了在温和条件下铑催化的炔基硫醚的加氢甲酰化反应。该方法可以获得具有良好区域选择性（α/β 比例高达 89/11）的 α-硫基丙烯醛，并且适用于各种取代的底物。它甚至对更复杂的底物（例如半胱氨酸和胆固醇衍生物）也有效。为了证明所得产物的合成潜力，选择(Z)-3-环己基-2-甲基硫基丙烯醛为例，将其硫原子选择性氧化成相应的亚砜或砜。在氧化过程中，酸促进双键从 (Z) 异构化为 (E)。然后将获得的三种硫基、亚磺酰基和磺酰基官能化丙烯醛用作亲二烯体以制备环己烯甲醛。
• Ethers and thioethers having therapeutical activity, their preparation and pharmaceutical compositions containing them
  申请人：BOEHRINGER MANNHEIM ITALIA S.P.A.

  公开号：EP0303227B1

  公开（公告）日：1992-02-05
• US4968706A
  申请人：——

  公开号：US4968706A

  公开（公告）日：1990-11-06
• US5212316A
  申请人：——

  公开号：US5212316A

  公开（公告）日：1993-05-18