ethyl 3,3-bis(benzylthio)-2-cyanoacrylate | 19607-34-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 3,3-bis(benzylthio)-2-cyanoacrylate
• 英文别名: 3,3-bis-benzylsulfanyl-2-cyano-acrylic acid ethyl ester；3,3-Bis-benzylmercapto-2-cyan-acrylsaeure-aethylester；ethyl 2-cyano-3,3-bis(benzylthio)acrylate；ethyl 3,3-bis-benzylthio-2-cyanoacrylate；ethyl 3,3-bis(benzylsulfanyl)-2-cyanoprop-2-enoate
• CAS: 19607-34-2
• 化学式: C₂₀H₁₉NO₂S₂
• 分子量: 369.508
• InChiKey: ZQAVXRZNNHNNIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  512.5±50.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3,3-bis(benzylthio)-2-cyanoacrylate 在 哌啶 、 一水合肼 作用下， 以 乙醇 为溶剂， 以58%的产率得到3-amino-4-(bis(benzylthio)methylene)-pyrazol-5-one
  参考文献：
  名称：

  乙炔二硫缩醛-不同杂环的来源

  摘要：

  使用适当的亲核试剂，从乙烯酮二硫缩醛合成了一些吡唑啉，异恶唑啉和嘧啶衍生物。

  DOI：

  10.1002/jhet.5570450422
• 作为产物：
  描述：

  溴甲苯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.42h， 以82%的产率得到ethyl 3,3-bis(benzylthio)-2-cyanoacrylate
  参考文献：
  名称：

  WO2008/4698

  摘要：

  公开号：

文献信息

• Substituted pyrazolo[1,5-a]pyrimidine-2-sulfonamides and compositions
  申请人：The Dow Chemical Company

  公开号：US04992091A1

  公开（公告）日：1991-02-12

  Novel compounds, e.g. 3-cyano-5,7-dimethyl-N-(2,6-dichlorophenyl)pyrazolo]1,5-a]pyrimidine-2-sul fonamide and their use as herbicides and/or for the suppression of nitrification of ammonium nitrogen in soil.

  小说化合物，例如3-氰基-5,7-二甲基-N-(2,6-二氯苯基)吡唑[1,5-a]嘧啶-2-磺酰胺及其用途，可用作除草剂和/或抑制土壤中铵氮硝化的药物。
• PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST
  申请人：Tanimoto Koichi

  公开号：US20090258867A1

  公开（公告）日：2009-10-15

  The present invention provides a pyrazolo[1,5-a]pyrimidine compound, having CB1 receptor-antagonizing activity, of the following formula [I]: in which R 1 and R 2 are the same or different and each an optionally substituted aryl group etc, R 0 is hydrogen atom, an alkyl group etc, E is a group of the formula: —C(═O)— or —SO 2 —, R is a group of the following formula [i], [ii] or [iii] etc: Ring A is (a) a C 3-8 cycloalkyl group optionally fused to a benzene ring or (b) a benzene ring, Q is a single bond or a methylene group, Ring B is a 4- to 7-membered aliphatic heterocyclic group, said cyclic group binding via its ring-carbon atom to the adjacent nitrogen atom, X is sulfur atom etc, R 3 is an alkyl group optionally substituted by an alkylthio group, R 4 is hydrogen atom, an alkyl group etc, one of R A and R B is an alkyl group etc, and the other is hydrogen atom, an alkyl group etc, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有CB1受体拮抗活性的吡唑并[1,5-a]嘧啶化合物，其化学式[I]如下：其中，R1和R2相同或不同，分别是可选取代的芳基等；R0是氢原子，烷基等；E是以下式子的基团：—C(═O)—或—SO2—；R是以下式子[i]、[ii]或[iii]等的基团：环A是(a)一个C3-8环烷基，可选地融合到苯环上，或(b)一个苯环；Q是单键或亚甲基基团；环B是一个4-7个成员的脂肪族杂环基团，该环基团通过其环碳原子与相邻的氮原子结合；X是硫原子等；R3是可选取代的烷基，可以是烷基硫基等；R4是氢原子，烷基等；RA和RB中的一个是烷基等，另一个是氢原子，烷基等，或其药学上可接受的盐。
• Pyrazolo[1,5-A]Pyrimidine Compounds
  申请人：Moritani Yasunori

  公开号：US20090069298A1

  公开（公告）日：2009-03-12

  The present invention relates to a novel pyrazolo[1,5-a]pyrimidine compound of the formula [I]: wherein R 1 and R 2 are the same or different and an optionally substituted aryl group etc. Q is single bond, a methylene group or a group of the formula: —N(R Q )—, R Q is an alkyl group, Ring A is a substituted pyrazole ring fused to the adjacent pyrimidine ring having the following formula (A), (B) or (C), R 3 and R 4 are the same or different and a hydrogen atom, a cyano group etc. E is one of the following groups (i) to (v): R 00 is an alkyl group, Q 1 is a single bond etc., Q 2 is a single bond or an alkylene group, one of R 5 and R 6 is a hydrogen atom or an alkyl group and the other is an alkyl group etc., one of R 50 and R 60 is a hydrogen atom or an alkyl group and the other is a hydrogen atom, an alkyl group etc., R 51 is an alkyl group or an optionally substituted arylsulfonyl group, R 61 is an alkylamino group or an azido group, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种新型吡唑并[1,5-a]嘧啶化合物，其化学式为[I]：其中R1和R2相同或不同，可以是任选取代芳基等；Q是单键，亚甲基基团或式子：—N(RQ)—，RQ是烷基基团；环A是一个取代的吡唑环与相邻的嘧啶环融合，具有以下式子(A)、(B)或(C)：其中R3和R4相同或不同，可以是氢原子、氰基等；E是以下式子(i)至(v)中的一种：其中R00是烷基基团，Q1是单键等，Q2是单键或烷基烃基团，R5和R6中的一个是氢原子或烷基基团，另一个是烷基基团等，R50和R60中的一个是氢原子或烷基基团，另一个是氢原子、烷基基团等，R51是烷基基团或任选取代的芳基磺酰基团，R61是烷基氨基基团或叠氮基团，或其药学上可接受的盐。
• Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08163759B2

  公开（公告）日：2012-04-24

  The present invention provides a pyrazolo[1,5-a]pyrimidine compound, having CB1 receptor-antagonizing activity, of the following formula [I]: in which R1 and R2 are the same or different and each an optionally substituted aryl group etc, R0 is hydrogen atom, an alkyl group etc, E is a group of the formula: —C(═O)— or —SO2—, R is a group of the following formula [i], [ii]or [iii] etc: Ring A is (a) a C3-8 cycloalkyl group optionally fused to a benzene ring or (b) a benzene ring, Q is a single bond or a methylene group, Ring B is a 4- to 7-membered aliphatic heterocyclic group, said cyclic group binding via its ring-carbon atom to the adjacent nitrogen atom, X is sulfur atom etc, R3 is an alkyl group optionally substituted by an alkylthio group, R4 is hydrogen atom, an alkyl group etc, one of RA and RB is an alkyl group etc, and the other is hydrogen atom, an alkyl group etc, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有CB1受体拮抗活性的吡唑并[1,5-a]嘧啶化合物，其化学式[I]如下：其中，R1和R2相同或不同，分别为可选择取代的芳基基团等，R0为氢原子、烷基基团等，E为下式的基团：—C(═O)—或—SO2—，R为下式的基团[i]、[ii]或[ iii]等：环A为(a)一个C3-8环烷基团，可选择与苯环融合，或(b)一个苯环，Q为单键或亚甲基基团，环B为一个4-至7-成员的脂环杂环基团，所述环基团通过其环碳原子与相邻的氮原子结合，X为硫原子等，R3为可选择取代的烷基基团，其中该烷基基团被烷基硫基取代，R4为氢原子、烷基基团等，RA和RB中的一个为烷基基团等，另一个为氢原子、烷基基团等，或其药学上可接受的盐。
• Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2520577A1

  公开（公告）日：2012-11-07

  The present invention provides pyrazolo[1,5-a]pyrimidine compounds and pharmaceutically acceptable salts thereof having CB1 receptor-antagonizing activity. These compounds, and compositions comprising the same, are hence useful in the treatment of a wide range of conditions and diseases.

  本发明提供了具有 CB1 受体拮抗活性的吡唑并[1,5-a]嘧啶化合物及其药学上可接受的盐类。这些化合物及其组合物可用于治疗多种病症和疾病。