3-(乙基硫)丁-1-醇; | 117013-33-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 3-(乙基硫)丁-1-醇
• 中文别名: 3-(乙基硫代)丁醇；3-(乙基硫)丁-1-醇
• 英文名称: 3-(ethylthio)-1-butanol
• 英文别名: 3-ethylsulfanylbutan-1-ol
• CAS: 117013-33-9
• 化学式: C₆H₁₄OS
• 分子量: 134.243
• InChiKey: RNFXBUGJWZOUJT-UHFFFAOYSA-N

物化性质

• LogP：
  1.28
• 物理描述：
  Pale yellow to colourless liquid; Cooked brown roasted nutty aroma
• 溶解度：
  Insoluble in water; slightly soluble in heptane and triacetin
• 密度：
  0.941-0.947
• 折光率：
  1.468-1.476

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  3-(乙基硫)丁-1-醇; 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(ethylsulfonyl)butyl methanesulfonate
  参考文献：
  名称：

  Identification of selective 8-(piperidin-4-yloxy)quinoline sulfone and sulfonamide histamine H1 receptor antagonists for use in allergic rhinitis

  摘要：

  A series of potent, selective and long-acting quinoline-based sulfonamide human H-1 histamine receptor antagonists, designed for once-daily intranasal administration for the treatment of rhinitis were developed. Sulfonamide 33b had a slightly lower affinity for the H-1 receptor than azelastine, had low oral bioavailability in the rat and dog, and was turned over to five major metabolites. Furthermore, 33b had longer duration of action than azelastine in guinea pigs, lower rat brain-penetration, and did not cause time dependent inhibition of CYP2D6 or CYP3A4. The clinical dose in humans is expected to be low (approximately 0.5 mg per day) based on the clinical dose used for azelastine and a comparison of efficacy data from animal models for 33b and azelastine. (C) 2017 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2017.09.020
• 作为产物：
  描述：

  3-(乙基硫代)丁酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.5h， 以100%的产率得到3-(乙基硫)丁-1-醇;
  参考文献：
  名称：

  [EN] PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS
  [FR] PHTHALAZINE ET COMPOSÉS PYRIDO-[3,4-D]PYRIDAZINE COMME ANTAGONISTES DU RÉCEPTEUR H1

  摘要：

  本发明涉及式(I)的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的用途。

  公开号：

  WO2009047336A1

文献信息

• Compounds
  申请人：Gore Paul Martin

  公开号：US20090270355A1

  公开（公告）日：2009-10-29

  The present invention relates to a compound which is N-(4-4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide and salts thereof, processes for its preparation, to compositions containing it and to its use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及一种化合物，即N-(4-4-[(6-丁基-8-喹啉基)氧基]-1-哌啶基}丁基)乙烷磺酰胺及其盐，以及其制备方法、含有该化合物的组合物，以及在治疗各种疾病（如过敏性鼻炎）中的用途。
• PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE
  申请人：Ley Jakob Peter

  公开号：US20110045069A1

  公开（公告）日：2011-02-24

  A description is given of precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease, in particular for the prevention or treatment of Type 2 diabetes. A description is also given of uses of these precursor compounds and edible compositions, preparations for nutrition or pleasure or semi-finished products and pharmaceutical preparations, containing such precursor compounds.

  描述了甜味受体拮抗剂的前体化合物，用于预防或治疗疾病，特别是用于预防或治疗2型糖尿病。还描述了这些前体化合物的用途，以及包含这些前体化合物的食用组合物、营养或愉悦制剂、半成品和含有这些前体化合物的药物制剂。
• SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS
  申请人：Gore Paul Martin

  公开号：US20110281909A1

  公开（公告）日：2011-11-17

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及公式（I）的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的应用。
• PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS
  申请人：Gore Paul Martin

  公开号：US20100216799A1

  公开（公告）日：2010-08-26

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及公式（I）的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（例如过敏性鼻炎）中的使用。
• Photochemical preparation of 3-(organothio) aldehydes
  申请人：ATOCHEM NORTH AMERICA, INC.

  公开号：EP0417386A1

  公开（公告）日：1991-03-20

  A process is disclosed for the preparation of 3-­(organothio)aldehydes by reacting a mercaptan with an α, β-unsaturated aliphatic aldehyde under actinic radiation in the absence of an oxygen-containing gas wherein the mercaptan and aldehyde are mixed in substantially equimolar amount and the reaction temperature ranges from about 2° to less than 60°C.

  本发明公开了一种制备 3-(有机硫)醛的工艺，其方法是在没有含氧气体的情况下，在光辐射下使硫醇与 α、β-不饱和脂肪醛反应，其中硫醇和醛基本上以等摩尔量混合，反应温度约为 2° 至低于 60°C。