4-chlorocrotonic acid | 26340-58-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-chlorocrotonic acid
• 英文别名: 3-Chlorcrotonsaeure；4-Chloro-2-butenoic acid；4-chlorobut-2-enoic acid
• CAS: 26340-58-9；16197-90-3
• 化学式: C₄H₅ClO₂
• 分子量: 120.535
• InChiKey: TVOMCUWVZVBDBG-UHFFFAOYSA-N

物化性质

• 熔点：
  83°C
• 沸点：
  148.96°C (rough estimate)
• 密度：
  1.2094 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P234,P264,P280,P390,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P406,P405
• 危险品运输编号：
  3261
• 危险性描述：
  H314,H290

反应信息

• 作为反应物：
  描述：

  4-chlorocrotonic acid 在 溴 作用下， 生成 2,3-dibromo-4-chloro-butyric acid
  参考文献：
  名称：

  Streambank and vegetation response to simulated cattle grazing

  摘要：

  Simulated grazing techniques were used to investigate livestock impacts on structural and vegetation characteristics of streambanks in central Idaho, USA. The treatments, continued over two years, consisted of no grazing, simulated moderate early summer grazing, simulated moderate mid-summer grazing, and simulated heavy season-long grazing. The moderate treatments depressed the streambank surface about 3 cm, while the heavy season-long treatment resulted in an 11.5-cm depression. There were no differences between the no-grazing and moderate-grazing treatments for change in stream width, bank angle, bank retreat, or root biomass. The heavy season-long treatment, however, produced significant changes in these variables. The amount of foliage biomass (i.e., kg ha(-1)) removed by treatment was similar between the two years of study for the moderate treatments. The foliage removed from the heavy season-long treatment plots greatly decreased in the second year as plant growth decreased. Ten months after the last treatment application, the average spring foliage growth was 20-43% lower on the moderate treatment plots and 51-87% lower on the heavy season-long treatment plots than on the untreated control plots.

  DOI：

  10.1672/0277-5212(2002)022[0139:savrts]2.0.co;2
• 作为产物：
  描述：

  (R)-4-chloro-3-hydroxy butyric acid 在 硫酸 作用下， 以 水 为溶剂， 以54.1 %的产率得到4-chlorocrotonic acid
  参考文献：
  名称：

  一种左卡尼汀杂质的制备方法

  摘要：

  本发明涉及一种左卡尼汀杂质的制备方法，所述杂质为4‑氯‑2‑丁烯酸，包括：将R‑4‑氯‑3‑羟基丁腈、甲醇投入反应容器中，通入氯化氢，TLC追踪反应进程，固体析出，用乙酸乙酯洗涤滤饼；收集滤液并浓缩得到4‑氯‑3‑羟基丁酸甲酯；将4‑氯‑3‑羟基丁酸甲酯、水加入第二反应容器中，将氢氧化钠加入中，TLC追踪反应进程，加入乙酸乙酯，静置分层收集有机相并浓缩至干，得到4‑氯‑3‑羟基丁酸；在三口容器中加入4‑氯‑3‑羟基丁酸、水、硫酸，TLC追踪反应进程，加入乙酸乙酯，静置分层收集有机相并浓缩至干，得到4‑氯‑2‑丁烯酸。

  公开号：

  CN117843473A

文献信息

• [EN] 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF<br/>[FR] DÉRIVÉS DE 4-AMINOBUT-2-ENAMIDE ET SELS DE CES DERNIERS
  申请人：TAIHO PHARMACEUTICAL CO LTD

  公开号：WO2021085653A1

  公开（公告）日：2021-05-06

  The present invention provides an antitumor agent comprising a compound or a pharmaceutically acceptable salt thereof that covalently binds to GTP-bound KRASG12C as an active ingredient.

  本发明提供了一种抗肿瘤药剂，包括一种与GTP结合的KRASG12C的化合物或其药用可接受的盐作为活性成分。
• Binon,F. et al., Bulletin des Societes Chimiques Belges, 1963, vol. 72, p. 166 - 177
  作者：Binon,F. et al.

  DOI：——

  日期：——
• Honaucins A−C, Potent Inhibitors of Inflammation and Bacterial Quorum Sensing: Synthetic Derivatives and Structure-Activity Relationships
  作者：Hyukjae Choi、Samantha J. Mascuch、Francisco A. Villa、Tara Byrum、Margaret E. Teasdale、Jennifer E. Smith、Linda B. Preskitt、David C. Rowley、Lena Gerwick、William H. Gerwick

  DOI：10.1016/j.chembiol.2012.03.014

  日期：2012.5

  Honaucins A-C were isolated from the cyanobacterium Leptolyngbya crossbyana which was found overgrowing corals on the Hawaiian coast. Honaucin A consists of (S)-3-hydroxy-gamma-butyrolactone and 4-chlorocrotonic acid, which are connected via an ester linkage. Honaucin A and its two natural analogs exhibit potent inhibition of both bioluminescence, a quorum-sensing-dependent phenotype, in Vibrio harveyi BB120 and lipopolysaccharide-stimulated nitric oxide production in the murine macrophage cell line RAW264.7. The decrease in nitric oxide production was accompanied by a decrease in the transcripts of several proinflammatory cytokines, most dramatically interleukin-1 beta. Synthesis of honaucin A, as well as a number of analogs, and subsequent evaluation in anti-inflammation and quorum-sensing inhibition bioassays revealed the essential structural features for activity in this chemical class and provided analogs with greater potency in both assays.
• Rambaud, Bulletin de la Societe Chimique de France, 1936, vol. <5>3, p. 139
  作者：Rambaud

  DOI：——

  日期：——
• Broche; Rambaud, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1944, vol. 218, p. 881
  作者：Broche、Rambaud

  DOI：——

  日期：——