E-thiocyanato-3 propene-2 oate de methyle | 97632-58-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: E-thiocyanato-3 propene-2 oate de methyle
• 英文别名: methyl (E)-3-thiocyanatoacrylate；Methyl 3-thiocyanoacrylate；Methyl trans-3-Thiocyanoacrylate；methyl (E)-3-thiocyanatoprop-2-enoate
• CAS: 97632-58-1
• 化学式: C₅H₅NO₂S
• 分子量: 143.166
• InChiKey: XXMBUYBSZUCZHK-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-chloro-1-thi-3-azin-4-one 、 potassium methanolate 以1%的产率得到
  参考文献：
  名称：

  SIMCHEN G.; ENTENMANN G., J. LIEBIGS ANN. CHEM., 1977, NO 8, 1249-1266

  摘要：

  DOI：

文献信息

• Use of substituted 3-thioacryloyl compounds as antimicrobial agents
  申请人：Rohm and Haas Company

  公开号：US05302592A1

  公开（公告）日：1994-04-12

  Use as microbicides of thioacryloyl compounds of the formula ##STR1## Compounds and compositions are also disclosed.

  使用公式##STR1##的硫丙烯酰基化合物作为微生物杀菌剂。同时还披露了相关的化合物和配方。
• Ultrasound-promoted Brønsted acid ionic liquid-catalyzed hydrothiocyanation of activated alkynes under minimal solvent conditions
  作者：Chao Wu、Ling-Hui Lu、Ai-Zhong Peng、Guo-Kai Jia、Cun Peng、Zhong Cao、Zilong Tang、Wei-Min He、Xinhua Xu

  DOI：10.1039/c8gc00491a

  日期：——

  protocol for the synthesis of Z-vinyl thiocyanates through ultrasound-promoted Brønsted acid ionic liquid-catalyzed hydrothiocyanation of activated alkynes under minimal solvent conditions has been developed. This process effectively avoids the use of organic solvents, metal catalysts and harsh reaction conditions. This reaction shows attractive characteristics such as operational simplicity, broad substrate

  通过使用水作为氢源，已开发了一种环保且实用的方案，可在最小的溶剂条件下通过超声促进的布朗斯台德酸离子液体催化的炔烃氢硫氰化来合成Z-乙烯基硫氰酸酯。该过程有效地避免了使用有机溶剂，金属催化剂和苛刻的反应条件。该反应显示出诱人的特性，例如操作简便，具有良好的优良收率的宽范围的底物，易于规模化生产和高能源效率以及可回收和可重复使用的催化剂。
• Substituted 3-thioacryloyl compounds and their use as antimicrobial
  申请人：Rohm and Haas Company

  公开号：US05464832A1

  公开（公告）日：1995-11-07

  A thioacryloyl compound of the formula ##STR1## wherein Z is selected from the group consisting of OR, R and NR.sup.1 R.sup.2 ; R is selected from the group consisting of hydrogen; (C.sub.1 -C.sub.18)alkyl; (C.sub.1 -C.sub.8)alkenyl; (C.sub.1 -C.sub.8)haloalkynyl; 2-(5-chlorothienyl)methyl; phenyl optionally substituted with one or more substituents selected from the group consisting of halo-, (C.sub.1 -C.sub.3)alkoxy-, nitro-, and (C.sub.1 -C.sub.3)alkyl; phenacyl optionally substituted with one or more substituents selected from the group consisting of ring halo-, (C.sub.1 -C.sub.3)alkoxy-, nitro-, and (C.sub.1 -C.sub.3)alkyl; arylalkyl optionally substituted with one or more substituents selected from the group consisting of ring halo-, (C.sub.1 -C.sub.3)alkoxy-, nitro-, and (C.sub.1 -C.sub.3)alkyl; R.sup.1 and R.sup.2 are independently selected from (C.sub.1 -C.sub.8)alkyl and phenyl, or R.sup.1 and R.sup.2 may be joined together with the nitrogen atom to which they are attached to form a ring containing 4 to 5 carbon atoms with or without an oxygen heteroatom; X is selected from the group consisting of hydrogen, halogen, phenyl, CO.sub.2 CH.sub.3, and (C.sub.1 -C.sub.3)alkyl; and Y is selected from the group consisting of CN, CH(COCH.sub.3).sub.2, CH.sub.2 COCH.sub.3, CH.sub.2 CN, CH.sub.2 CO.sub.2 C.sub.2 H.sub.5 -propargyl, SCH.dbd.CHCO.sub.2 CH.sub.3, C(.dbd.NH)NH.sub.2 hydrochloride, and 2-(5-chlorothienyl)methyl; provided that when Z is NR.sup.1 R.sup.2, Y is CN; and provided that when Z is R, X is hydrogen, and Y is CN, R is not phenyl.

  该化合物的硫代丙烯酰基化合物的化学式为##STR1##其中Z从OR，R和NR.sup.1 R.sup.2的组中选择；R从氢；(C.sub.1-C.sub.18)烷基；(C.sub.1-C.sub.8)烯基；(C.sub.1-C.sub.8)卤代炔基；2-（5-氯噻吩基）甲基；苯基，可选地取代一个或多个取代基，所述取代基从卤，（C.sub.1-C.sub.3）烷氧基，硝基和（C.sub.1-C.sub.3）烷基的组中选择；苯乙酰基，可选地取代一个或多个取代基，所述取代基从环卤基，（C.sub.1-C.sub.3）烷氧基，硝基和（C.sub.1-C.sub.3）烷基的组中选择；芳基烷基，可选地取代一个或多个取代基，所述取代基从环卤基，（C.sub.1-C.sub.3）烷氧基，硝基和（C.sub.1-C.sub.3）烷基的组中选择；R.sup.1和R.sup.2分别从（C.sub.1-C.sub.8）烷基和苯基中选择，或R.sup.1和R.sup.2可以与它们附着的氮原子结合形成含有4至5个碳原子的环，带或不带氧杂原子；X从氢，卤素，苯基，CO.sub.2 CH.sub.3和（C.sub.1-C.sub.3）烷基中选择；Y从CN，CH（COCH.sub.3）.sub.2，CH.sub.2 COCH.sub.3，CH.sub.2 CN，CH.sub.2 CO.sub.2 C.sub.2 H.sub.5 -丙炔基，SCH.dbd.CHCO.sub.2 CH.sub.3，C(.dbd.NH)NH.sub.2盐酸盐和2-（5-氯噻吩基）甲基中选择；前提是当Z是NR.sup.1 R.sup.2时，Y是CN；并且当Z是R，X是氢，Y是CN时，R不是苯基。
• Addition de l'acide thiocyanique aux acetyleniques a l'aide de Hg(II)-I
  作者：Michel Giffard、Jack Cousseau、Lucien Gouin

  DOI：10.1016/s0040-4020(01)96460-9

  日期：1985.1
• GIFFARD, M.;COUSSEAU, J.;GOUIN, L.;CRAHE, M. -R., TETRAHEDRON, 1985, 41, N 4, 801-810
  作者：GIFFARD, M.、COUSSEAU, J.、GOUIN, L.、CRAHE, M. -R.

  DOI：——

  日期：——