3-(3-甲基噻吩-2-基)丙-2-烯酸 | 102696-70-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 3-(3-甲基噻吩-2-基)丙-2-烯酸
• 英文名称: (E)-3-(3-methyl-2-thienyl)-2-propenoic acid
• 英文别名: 3-(3-Methyl-2-thienyl)propenoic acid；(E)-3-(3-methyl-2-thienyl)prop-2-enoic acid；(E)-3-(3-methyl-thien-2-yl)-2-propenoic acid；(E)-3-(3-methylthiophen-2-yl)acrylic acid；3t-(3-methyl-[2]thienyl)-acrylic acid；3t-(3-Methyl-[2]thienyl)-acrylsaeure；3-(3-methylthiophen-2-yl)-propenoic acid；3-(3-Methyl-2-thienyl)acrylic acid；(E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
• CAS: 102696-70-8
• 化学式: C₈H₈O₂S
• mdl: MFCD00209366
• 分子量: 168.216
• InChiKey: AUFDGOVNVKDTEB-NSCUHMNNSA-N

物化性质

• 熔点：
  174-175 °C(Solv: ethanol (64-17-5))
• 沸点：
  302.9±27.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  3-(3-甲基噻吩-2-基)丙-2-烯酸 在 氯化亚砜 、 氢溴酸 作用下， 以 四氢呋喃 、 乙醇 、 苯 为溶剂， 反应 5.0h， 生成 (E)-3-(3-Methyl-thiophen-2-yl)-1-piperazin-1-yl-propenone
  参考文献：
  名称：

  Pyrimidine derivatives. 4. Synthesis and antihypertensive activity of 4-amino-2-(4-cinnamoylpiperazino)-6,7-dimethoxyquinazoline derivatives

  摘要：

  A series of 30 4-amino-2-(4-cinnamoylpiperazino)-6,7-dimethoxyquinazoline derivatives was prepared and tested for their ability to reduce blood pressure in conscious, spontaneously hypertensive rates (SHR). A number of these compounds, notably 4-amino-2-(4-cinnamoylpiperazino)-6,7-dimethoxyquinazolines 3a (R1 = H; R2 = Ph), 3j (R1 = H; R2 = 4-EtOPh), and 5a (R1 = H; R2 = 2-furyl), showed activity at oral doses of 0.3-10 mg/kg. The effects of the 4-substituents of the piperazino group on activity are discussed. Compounds 3a, 3j, and 5a were effective in renal hypertensive rats at oral doses of 3 and 10 mg/kg and showed alpha-adrenoceptor blocking effects in isolated aortas of rats. A 5-day consecutive oral administration of 3a and 3j in SHR did not lead to development of tolerance.

  DOI：

  10.1021/jm00357a016
• 作为产物：
  描述：

  ethyl (E)-3-(3-methylthiophen-2-yl)acrylate 在 sodium hydroxide 作用下， 生成 3-(3-甲基噻吩-2-基)丙-2-烯酸
  参考文献：
  名称：

  STUDIES IN THE THIOPHENE SERIES. III. CONDENSATIONS OF THIOPHENEALDEHYDES¹

  摘要：

  DOI：

  10.1021/jo01155a011

文献信息

• 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy
  申请人：Pfizer INC

  公开号：US06313312B1

  公开（公告）日：2001-11-06

  Compounds of formula (I), their salts and prodrugs thereof, where the substituents are as defined herein are disclosed as opiate binding agents useful in the treatment of opiate-mediated conditions. Also described are processes for making such substances.

  化合物的结构式（I），其盐及其前药，其中取代基如本文所定义，被披露为在治疗鸦片类物质介导的疾病中有用的鸦片受体结合剂。还描述了制备这类物质的方法。
• Ramoplanin derivatives possessing antibacterial activity
  申请人：Raju G. Bore

  公开号：US20060211603A1

  公开（公告）日：2006-09-21

  Novel ramoplanin derivatives are disclosed. These ramoplanin derivatives exhibit antibacterial activity. As the compounds of the subject invention exhibit potent activities against gram positive bacteria, they are useful antimicrobial agents. Methods of synthesis and of use of the compounds are also disclosed.

  新型拉莫普兰衍生物已被披露。这些拉莫普兰衍生物表现出抗菌活性。由于本发明的化合物对革兰氏阳性细菌表现出强效活性，它们是有用的抗微生物药剂。该化合物的合成方法和使用方法也已被披露。
• Further Studies on the Pyrolytic Domino Cyclization of Stabilized Phosphonium Ylides Bearing an Ortho-Aminophenyl Group
  作者：R. Aitken、Lorna Murray、Alexandra Slawin

  DOI：10.3390/molecules23092153

  日期：——

  under gas-phase flow conditions, to lose Ph₃PO and benzyl radicals to afford new heterocyclic products resulting from domino cyclization of both C- and N-centered radicals. Most products arise from processes of the former type and have quinoline, phenanthridine, or ring-fused phenanthridine structures, while in one case, a process of the latter type leads to a benzocarbazole product. The X-ray structure

  制备并表征了四个新的，稳定的含2-（苄基（甲基）氨基）苯基的phospho基化物，发现它们在气相流动条件下热解后会失去Ph₃PO和苄基基团，从而提供新的杂环产物C和N中心自由基的多米诺环化。大多数产物来自前一种类型的方法，并具有喹啉，菲啶或环稠合的菲啶结构，而在一种情况下，后一种类型的方法产生苯并咔唑产物。还报道了2-（甲基（甲苯磺酰基）氨基）苯基内酯的X射线结构。
• Competitive Formation of β-Amino Acids, Propenoic, and Ylidenemalonic Acids by the Rodionov Reaction from Malonic Acid, Aldehydes, and Ammonium Acetate in Alcoholic Medium
  作者：A. V. Lebedev、A. B. Lebedeva、V. D. Sheludyakov、E. A. Kovaleva、O. L. Ustinova、I. B. Kozhevnikov

  DOI：10.1007/s11176-005-0377-9

  日期：2005.7

  The Rodionov reaction of 49 available aliphatic and aromatic aldehydes with malonic acid and ammonium acetate in alcoholic medium, resulting in formation of β-amino acids, propenoic, and ylidenemalonic acids, was studied. Certain regioselectivity regularities of the reaction were revealed. Among the variety of ketones studied, cyclohexanone is the only whose reaction yields a β-amino acid. Unusual dehydrofluorination of 6-chloro-2-fluorocinnamic acid under the Rodionov reaction was discovered.

  在醇介质中，利用49种可获得的脂肪醛和芳香醛与丙二酸和醋酸铵进行Rodionov反应，结果形成了β-氨基酸、丙烯酸和亚甲基丙二酸。研究揭示了该反应的某些区域选择性规律。在多种研究的酮中，仅有环己酮的反应产物为β-氨基酸。在Rodionov反应条件下，6-氯-2-氟肉桂酸的异常脱氟现象被发现。
• [EN] (E)-4-(4-ACRYLAMIDOPHENOXY)-N-METHYLPICOLINAMIDE CONJUGATES AS POTENTIAL ANTICANCER AGENTS<br/>[FR] CONJUGUÉS DE (E)-4-(4-ACRYLAMIDOPHÉNOXY)-N-MÉTHYLPICOLINAMIDE EN TANT QU'AGENTS POTENTIELS CONTRE LE CANCER
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2017125946A1

  公开（公告）日：2017-07-27

  The present invention relates to a compound of formula A useful as potential anticancer agents against human cancer cell lines and process for the preparation thereof.

  本发明涉及一种化合物A，其可用作潜在的抗人癌细胞系的抗癌剂，以及其制备方法。

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