1-(甲硫基)丙-2-醇 | 6943-87-9

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(甲硫基)丙-2-醇
• 英文名称: 1-(methylthio)propan-2-ol
• 英文别名: 1-(methylthio)-2-propanol；2-hydroxypropyl methyl sulfide；Methylthio-1-propanol-2；2-Propanol, 1-(methylthio)-；1-methylsulfanylpropan-2-ol
• CAS: 6943-87-9
• 化学式: C₄H₁₀OS
• mdl: MFCD12779642
• 分子量: 106.189
• InChiKey: VHMYGROEIUZTQW-UHFFFAOYSA-N

物化性质

• 沸点：
  67 °C(Press: 20 Torr)
• 密度：
  1.039 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 储存条件：
  存储条件：2-8°C，避光，惰性气体环境。

反应信息

• 作为反应物：
  描述：

  1-(甲硫基)丙-2-醇 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 生成 1-(methylsulfonyl)propan-2-ol
  参考文献：
  名称：

  Numata,M. et al., Chemical and pharmaceutical bulletin, 1970, vol. 18, p. 221 - 227

  摘要：

  DOI：
• 作为产物：
  描述：

  烯丙基甲基硫醚 在 sodium hydroxide 、 sodium tetrahydroborate 、 mercury(II) diacetate 作用下， 生成 1-(甲硫基)丙-2-醇
  参考文献：
  名称：

  Solvomercuration-demercuration. 9. Oxymercuration-demercuration of chloro-, epoxy-, and thiomethyl-substituted alkenes

  摘要：

  DOI：

  10.1021/jo00318a019

文献信息

• 2-iminobenzothiazoline derivatives, their preparation and pharmaceutical
  申请人：Rhone-Poulenc Sante

  公开号：US05008280A1

  公开（公告）日：1991-04-16

  Compounds of the formula: ##STR1## in which - R.sub.1 denotes a polyfluoroalkoxy or polyfluoroalkyl radical, and - R.sub.2 denotes either a chain --CH.sub.2 --(CH(R.sub.4)).sub.n --R.sub.3, in which R.sub.3 denotes a dialkylamino, piperidino, 1-pyrrolidinyl, mercapto, acylthio, alkylthio, alkylsulphinyl or alkylsulphonyl radical, R.sub.4 denotes a hydrogen atom or an alkyl radical and n is equal to 0 or 1, or a residue of formula: ##STR2## the said alkyl and alkoxy radicals and portions containing 1 to 4 carbon atoms each in a straight or branched chain and said the acyl portions containing 2 to 4 carbon atoms each, and the salts of these compounds, are useful in the treatment of diseases in which glutamate is implicated.

  该公式化合物的化合物：##STR1##其中- R.sub.1表示多氟烷氧基或多氟烷基基团，- R.sub.2表示链--CH.sub.2--(CH(R.sub.4)).sub.n--R.sub.3，其中R.sub.3表示二烷基氨基，哌啶基，1-吡咯啉基，巯基，酰硫基，烷硫基，烷基磺酰基或烷基磺酰基团，R.sub.4表示氢原子或烷基基团，n等于0或1，或者是以下公式的残基：##STR2##所述的烷基和烷氧基基团以及每个含有1至4个碳原子的直链或支链的部分和含有2至4个碳原子的酰基部分，以及这些化合物的盐，在涉及谷氨酸的疾病治疗中是有用的。
• Reactivity of N-phenyl silylated ketenimines with electrophilic reagents
  作者：Christophe Fromont、Serge Masson

  DOI：10.1016/s0040-4020(99)00219-7

  日期：1999.4

  We report the reactivity of new Cβ silylated ketenimines (4, 5, 6) and lithiated-silylated ketenimine 3 leasily generated from lithiated S-methyl-N-phenyl-trimethylsilylethanimidothioate 2] toward electrophilic reagents. Reactions of these ketenimines with strong electrophilic reagents such as sulfanyl chloride (PhSCl) gave access to new sulfanylated ketenimines. With less reactive species [benzenesulfinyl

  我们报告了新的Cβ甲硅烷基化的氯胺酮（4、5、6）和锂化的甲硅烷基化的S-甲基-N-苯基-三甲基甲硅烷基亚氨基硫酸酯2 ]容易产生的锂化的甲硅烷基化的酮亚胺3对亲电试剂的反应性。这些烯酮亚胺与强亲电试剂如硫酰氯（PhSCl）的反应使人们获得了新的磺酰化酮亚胺。具有较少的反应性物种[苯磺酰氯（PhS（O）Cl），对甲苯磺酰氯，三甲基卤硅烷，氯磷酸二异丙酯，乙酰氯和环氧丙烷]和3，加成发生在Cβ或氮原子上，分别导致相对不稳定的官能化酮亚胺或新的甲硅烷基化的氨胺。
• β-Substituted organolithium compounds; direct preparation and reactivity
  作者：José Barluenga、Josefa Flórez、Miguel Yus

  DOI：10.1039/c39820001153

  日期：——

  Very reactive organolithium compounds bearing an alkoxide function at the β-position with respect to the metal are obtained by direct metallation with lithium naphthalenide at low temperature of the corresponding lithium chlorhydrin salt; the reaction of these dianions with different electrophilic agents leads to the corresponding mono- and bi-functionalized compounds.

  通过在较低的温度下用萘二甲酸锂直接金属化相应的氯代醇锂盐，可以得到在金属的β位上具有醇盐功能的反应性极强的有机锂化合物。这些二价阴离子与不同的亲电试剂反应会生成相应的单官能和双官能化合物。
• Barluenga, Jose; Florez, Josefa; Yus, Miguel, Journal of the Chemical Society. Perkin transactions I, 1983, # 12, p. 3019 - 3026
  作者：Barluenga, Jose、Florez, Josefa、Yus, Miguel

  DOI：——

  日期：——
• Sulfonyl-Containing Aldophosphamide Analogues as Novel Anticancer Prodrugs Targeted against Cyclophosphamide-Resistant Tumor Cell Lines
  作者：Monish Jain、Junying Fan、Nesrine Z. Baturay、Chul-Hoon Kwon

  DOI：10.1021/jm0304764

  日期：2004.7.1

  A series of sulfonyl-group containing analogues of aldophosphamide (Aldo) were synthesized as potential anticancer prodrugs that liberate the cytotoxic phosphoramide mustards (PM, IPM, and tetrakis-PM) via beta-elimination, a nonenzymatic activation mechanism. Kinetic studies demonstrated that all these compounds spontaneously liberate phosphoramide mustards with half-lives in the range of 0.08-15.2 h under model physiological conditions in 0.08 M phosphate buffer at pH 7.4 and 37 degreesC. Analogous to Aldo, the rates of beta-elimination in all compounds was enhanced in reconstituted human plasma under same conditions. The compounds were more potent than the corresponding phosphoramide mustards against V-79 Chinese hamster lung fibroblasts in vitro (IC50 = 1.8-69.1 muM). Several compounds showed excellent in vivo antitumor activity in CD2F1 mice against both P388/0 (Wild) and P388/CPA (CP-resistant) tumor cell lines.