4-(Acetylthio)-2-butanone | 13976-50-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: 4-(Acetylthio)-2-butanone
• 英文别名: 4-acetylsulfanyl-2-butanone；4-Acetylmercapto-butan-2-on；4-Acetylthiobutanon-2；1-Acetylmercapto-butanon-(3)；4-acetylsulfanyl-butan-2-one；S-(3-oxobutyl) ethanethioate
• CAS: 13976-50-6
• 化学式: C₆H₁₀O₂S
• 分子量: 146.21
• InChiKey: QWABDIAZCMRTBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(Acetylthio)-2-butanone 在 碘 、 mercury dichloride 、 锌 作用下， 以 乙醚 为溶剂， 生成 β-Acetoxy-β-methyl-δ-benzylmercapto-valeriansaeure-ethylester
  参考文献：
  名称：

  抗代谢药物II关于甲羟戊酸某些类似物的制备和性质

  摘要：

  描述了β-羟基-β-甲基-δ-巯基戊酸和类似化合物的合成。

  DOI：

  10.1002/hlca.19600430406
• 作为产物：
  描述：

  1-溴-3-甲基戊烷-4-酮 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 30.0h， 生成 4-(Acetylthio)-2-butanone
  参考文献：
  名称：

  Dye-sensitized photooxygenation of 2,3-dihydrothiophenes: formation of stable 1,2-dioxetanes from 4,5-dialkyl-substituted derivatives

  摘要：

  Singlet oxygen reacts with 4,5-dimethyl- (1a), 4-ethyl-5-methyl- (1b), and 4-isopropyl-5-methyl-2,3-dihydrothiophene (1c) to give 1,2-dioxetanes 2a-c in high yields (> 90%). 2a-c represent the first examples of sulfur-substituted dioxetanes that could be isolated. Less than 5% of allylic hydroperoxides 3a, 4a, and 3b, identified by their H-1 NMR spectra, and less than 5% of S-oxides 5a-c were formed in competing ene reactions and sulfoxide-producing steps, respectively. Due to its decreased rigidity, dioxetane 2a is less stable than its oxygen counterpart. Increased flexibility of dioxetanes derived from dihydrothiophenes and dihydrothiopyrans, as compared to those derived from dihydrofurans and dihydropyrans, causes dioxetanes 9 and 16, obtained from 4-carbomethoxy-5-methyl-2,3-dihydrothiophene (8) and 5,6-dimethyl-3,4-dihydro-2H-thiopyran (14), to cleave into dicarbonyl compounds readily at low temperatures. Sulfur-substituted allylic hydroperoxides are also less stable than their oxygen counterparts. Formation of the expected endocyclic allylic hydroperoxides 3a, 3b, and 10 is inferred from the appearance of their H2O2 elimination products, thiophenes 7a, 7b and 13, respectively.

  DOI：

  10.1021/jo00012a041

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS MAP4K1 INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE MAP4K1
  申请人：BLUEPRINT MEDICINES CORP

  公开号：WO2023288254A1

  公开（公告）日：2023-01-19

  One embodiment of the disclosure is a compound represented by Formula (I) or a pharmaceutically acceptable salt thereof. The variables in Formula (I) are defined herein. Compounds of Formula (I) are MAP4K1 inhibitors, which can be used to treat a diseases or disorders in a subject that benefits from control of MAP4K1 activity.

  本公开的一个实施例是由公式（I）表示的化合物或其药学上可接受的盐。公式（I）中的变量在此处定义。公式（I）的化合物是MAP4K1抑制剂，可用于治疗受益于控制MAP4K1活性的主体中的疾病或障碍。
• Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides
  申请人：The Brigham and Women's Hospital, Inc.

  公开号：US10034927B2

  公开（公告）日：2018-07-31

  The invention relates to the compositions of synthetic oligo-β-(1→6)-2-amino-2-deoxy-D-glu-copyranosides conjugated to carriers, and methods for making and use same.

  本发明涉及与载体共轭的合成低聚-β-(1→6)-2-氨基-2-脱氧-D-谷氨酰吡喃糖苷的组合物，以及其制造和使用方法。
• An easy preparation of simple sultines and hydroxyalkanesulfinate salts
  作者：J.F. King、Rajendra Rathore

  DOI：10.1016/s0040-4039(00)99119-6

  日期：1989.1
• Arbusow; Wolkow, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3279,3284; engl. Ausg. S. 3242, 3246
  作者：Arbusow、Wolkow

  DOI：——

  日期：——
• Oxygen-sensitive reactions of proteins and peptides. III. Chromogenicity and cystine-related structures
  作者：Edwin L. Gustus

  DOI：10.1021/jo01286a031

  日期：1967.11