2-乙酰硫代乙基碘 | 155187-01-2

• 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
• 中文名称: 2-乙酰硫代乙基碘
• 英文名称: 2-acetylthioethyl iodide
• 英文别名: 2-iodoethane thioacetate；2-iodoethyl thioacetate；thioacetic acid S-(2-iodo-ethyl ester)；Thioessigsaeure-S-(2-jod-aethylester)；2-Acetylthio-1-iodoethane；S-(2-iodoethyl) ethanethioate
• CAS: 155187-01-2
• 化学式: C₄H₇IOS
• 分子量: 230.069
• InChiKey: SRWMIQCZJXNMHW-UHFFFAOYSA-N

物化性质

• 沸点：
  97 °C(Press: 10 Torr)
• 密度：
  1.8195 g/cm3(Temp: 417 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙酰硫代乙基碘 、 三甲胺 以 甲醇 、 甲基叔丁基醚 为溶剂， 反应 8.0h， 以95%的产率得到碘代硫代乙酰胆碱
  参考文献：
  名称：

  一种制备碘化乙酰硫代胆碱的工艺方法

  摘要：

  本发明公开了一种制备碘化乙酰硫代胆碱的工艺方法，包括步骤一：以硫代乙酸钾为原料，与1,2‑二氯乙烷在催化剂作用下反应，得到2‑氯乙烷硫代乙酸酯；步骤二：以2‑氯乙烷硫代乙酸酯为原料，与碘盐反应，得到2‑碘乙烷硫代乙酸酯；步骤三：以2‑碘乙烷硫代乙酸酯为原料，与三甲胺类化合物反应，得到碘化乙酰硫代胆碱。其安全性高，反应条件温和，反应收率高。

  公开号：

  CN111333556A
• 作为产物：
  描述：

  乙酰碘 在 环硫乙烷 、 四氯化碳 作用下， 生成 2-乙酰硫代乙基碘
  参考文献：
  名称：

  Iwin, Zhurnal Obshchei Khimii, 1952, vol. 22, p. 267;engl.Ausg.S.327

  摘要：

  DOI：

文献信息

• THE CHEMICAL STABILITY OF<i>S</i>-(2-ACYLTHIOETHYL) AND<i>S</i>-ACYLOXYMETHYL PROTECTED THYMIDYLYL-3′,5′-THYMIDINE PHOSPHOROMONOTHIOLATES AND THEIR DEACYLATION PRODUCTS IN AQUEOUS SOLUTION
  作者：Päivi Poijärvi、Mikko Oivanen、Harri Lönnberg

  DOI：10.1081/ncn-100001438

  日期：2001.2.26

  catalyzed acetyl migration from the protecting group to the nucleoside 3'- and 5'-hydroxy functions was found to compete with the intermolecular displacement of the AcSCH2CH2S- or AcOCH2S-ligand from the phosphorus atom of 1a,b and 3a,b, respectively. With the S-pivaloylthioethyl derivative 2a,b no such reaction took place. Additionally, the kinetics of the cleavage of the S-(2-mercaptoethyl) group from 4a

  S-（2-乙酰硫基乙基）（1a，b），S-（2-新戊酰硫基乙基）（2a，b）和S-乙酰氧基甲基（3a，b）的水解稳定性保护了3'，5的Rp和Sp磷酸单硫醇酯'-TpT已被研究。出乎意料的是，发现分子内氢氧根离子催化的乙酰基从保护基向核苷3'-和5'-羟基官能团的迁移与AcSCH2CH2S-或AcOCH2S-配体从1a，b磷原子的分子间置换竞争和3a，b分别。对于S-新戊酰基硫代乙基衍生物2a，b，没有发生这种反应。另外，还研究了从4a，b（1a，b和2a，b的酶促脱酰产物）裂解S-（2-巯基乙基）基团的动力学与pH的关系。
• Thio-substituted cyclic phosphonate compounds, pharmaceutical
  申请人：The Procter & Gamble Company

  公开号：US05763611A1

  公开（公告）日：1998-06-09

  The present invention relates to thio-substituted cyclic phosphonate compounds including bisphosphonates and phosphonoalkylphosphinates, and the pharmaceutically-acceptable salts and esters thereof. The present invention further relates to pharmaceutical compositions containing a safe and effective amount of a compound of the present invention, and pharmaceutically-acceptable excipients. Finally, the present invention relates to methods for treating or preventing pathological conditions characterized by abnormal calcium and phosphate metabolism in humans or other mammals including treating or preventing osteoporosis and arthritis, especially rheumatoid arthritis and osteoarthritis. The compounds may be monocyclic or bicyclic and have the following general structure: ##STR1## wherein (a) X and Y are independently selected from nil, O, S, and N; (b) R is PO.sub.3 H.sub.2 or P(O)(OH)R.sup.4, wherein R.sup.4 is substituted or unsubstituted C.sub.1 -C.sub.8 alkyl; (c) m and n are integers from 0 to 5, and m+n equals 0 to 5; (d) p and q are integers from 0 to 3, and p+q equals 0 to 3; (e) s is an integer from 0 to 2 and when X is nil and m+n=0, s=2; and (f) R.sup.1 and R.sup.2 are selected from various substituents; provided that at least one thio substituent is present.

  本发明涉及硫取代的环磷酸酯化合物，包括双磷酸盐和磷酸烷基膦酸盐，以及其药学上可接受的盐和酯。本发明还涉及含有本发明化合物的安全有效量和药学上可接受的辅料的制药组合物。最后，本发明涉及用于治疗或预防人类或其他哺乳动物中以异常钙和磷代谢为特征的病理状态的方法，包括治疗或预防骨质疏松症和关节炎，特别是类风湿性关节炎和骨关节炎。这些化合物可以是单环或双环的，具有以下一般结构：##STR1## 其中：(a) X和Y独立地选自零、O、S和N；(b) R为PO.sub.3 H.sub.2或P(O)(OH)R.sup.4，其中R.sup.4是取代或未取代的C.sub.1-C.sub.8烷基；(c) m和n是从0到5的整数，m+n等于0到5；(d) p和q是从0到3的整数，p+q等于0到3；(e) s是从0到2的整数，当X为零且m+n=0时，s=2；(f) R.sup.1和R.sup.2选自各种取代基；但至少存在一个硫取代基。
• <i>O</i>²-(<i>N</i>-Hydroxy(methoxy)-2-ethanesulfonamido) Protected Diazen-1-ium-1,2-diolates: Nitric Oxide Release via a Base-Induced β-Elimination Cleavage
  作者：Zhangjian Huang、Edward E. Knaus

  DOI：10.1021/ol200053z

  日期：2011.3.4

  O-2-(Ethanesulfohydroxamic acid) and O-2-(N-methoxy-2-ethanesulfonylamido) diazen-1-ium-1,2-diolates (4-7), a novel type of O-2-(protected) diazeniumdiolate, were synthesized using a key thioacetate oxidation reaction. Nitric oxide release studies showed that O-2-(N-methoxy-2-ethanesulfonylamido) diazeniumdiolates 5 and 7 released NO in a nonphysiological alkaline buffer, in the presence of bases such as the basic natural amino acids Arg and His, or the non-nucleophilic organic base DBU in PBS at pH 7.4, via a beta-elimination cleavage reaction.
• The prooligonucleotide approach. III: Synthesis and bioreversibility of a chimeric phosphorodithioate prooligonucleotide
  作者：Guilem Tosquellas、Isabelle Barber、François Morvan、Bernard Rayner、Jean-Louis Imbach

  DOI：10.1016/0960-894x(96)00051-0

  日期：1996.2

  Alkylation of a central gap of three phosphorodithioate linkages into a dodecathymidine methylphosphonate with methylacylthioethyl iodide (Me-SATE-I) yielded the corresponding neutral oligonucleotide. Upon incubation of the resulting non ionic prooligonucleotide in cell extracts, the bioreversible Me-SATE masking groups were selectively removed by carboxyesterases present in the milieu.
• Iwin, Zhurnal Obshchei Khimii, 1952, vol. 22, p. 267;engl.Ausg.S.327
  作者：Iwin

  DOI：——

  日期：——