1-(methyldisulfanyl)-1-methylsulfanylpropane | 53897-66-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 英文名称: 1-(methyldisulfanyl)-1-methylsulfanylpropane
• 英文别名: methyl 1-(methylthio)propyl disulfide；methyl-(1-methylsulfanyl-propyl)-disulfane
• CAS: 53897-66-8
• 化学式: C₅H₁₂S₃
• 分子量: 168.348
• InChiKey: OGKCJWOOFUPRSV-UHFFFAOYSA-N

物化性质

• 沸点：
  99-100 °C(Press: 13 Torr)
• 密度：
  1.097±0.06 g/cm3(Predicted)
• LogP：
  3.294 (est)
• 保留指数：
  1220.8;1235;1241;1235

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(methyldisulfanyl)-1-methylsulfanylpropane 在 sodium carbonate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以37%的产率得到methyl 1-(methylsulfinyl)propyl disulfide
  参考文献：
  名称：

  Allium Chemistry:  Synthesis of 1-[Alk(en)ylsulfinyl]propyl Alk(en)yl Disulfides (Cepaenes), Antithrombotic Flavorants from Homogenates of Onion (Allium cepa)

  摘要：

  A series of 1-[alk(en)ylsulfinyl]propyl alk(en)yl disulfides (alpha-sulfinyl disulfides) of structure RS(O)CHEtSSR', R, R' = Me, (E,Z)-MeCH=CH, n-Pr, and CH2=CHCH2, termed cepaenes, have been synthesized by a variety of routes including oxidation of 1-[alk(en)ylthio]propyl alk(en)yl disulfides, RSCHEtSSR', termed deoxycepaenes. The cepaenes are identical to compounds isolated from homogenates of onion (Allium cepa) and to compounds identified in these homogenates by liquid chromatography/mass spectrometry, while the deoxycepaenes are identical to compounds found in Allium distilled oils and in other materials: The antithrombotic activities for several cepaenes are reported.

  DOI：

  10.1021/jf9705126
• 作为产物：
  描述：

  甲硫醇 、 1-chloropropyl methyl disulfide 在 silver(I) 4-methylbenzenesulfonate 作用下， 生成 1-(methyldisulfanyl)-1-methylsulfanylpropane
  参考文献：
  名称：

  Allium Chemistry:  Synthesis of 1-[Alk(en)ylsulfinyl]propyl Alk(en)yl Disulfides (Cepaenes), Antithrombotic Flavorants from Homogenates of Onion (Allium cepa)

  摘要：

  A series of 1-[alk(en)ylsulfinyl]propyl alk(en)yl disulfides (alpha-sulfinyl disulfides) of structure RS(O)CHEtSSR', R, R' = Me, (E,Z)-MeCH=CH, n-Pr, and CH2=CHCH2, termed cepaenes, have been synthesized by a variety of routes including oxidation of 1-[alk(en)ylthio]propyl alk(en)yl disulfides, RSCHEtSSR', termed deoxycepaenes. The cepaenes are identical to compounds isolated from homogenates of onion (Allium cepa) and to compounds identified in these homogenates by liquid chromatography/mass spectrometry, while the deoxycepaenes are identical to compounds found in Allium distilled oils and in other materials: The antithrombotic activities for several cepaenes are reported.

  DOI：

  10.1021/jf9705126

文献信息

• Investigation of the Head-Space of Roasted Meat II. Synthesis of substituted 2, 4, 5-trithia-hexanes
  作者：Paul Dubs、Rita Stüssi

  DOI：10.1002/hlca.19780610708

  日期：1978.11.1

  Substituted 2, 4, 5-trithiahexanes 1, a class of substances recently found in roasted meat, have been synthesized via two different routes.

  通过两种不同的途径合成了2、4、5-三硫代己烷1（最近在烤肉中发现的一类物质）。
• DUBS P.; STUESSI R., HELV. CHIM. ACTA, 1978 61, NO 7, 2351-2359
  作者：DUBS P.、 STUESSI R.

  DOI：——

  日期：——
• <i>Allium</i> Chemistry:  Synthesis of 1-[Alk(en)ylsulfinyl]propyl Alk(en)yl Disulfides (Cepaenes), Antithrombotic Flavorants from Homogenates of Onion (<i>Allium cepa</i>)
  作者：Eric Block、Harsh Gulati、David Putman、Deyou Sha、Niannian You、Shu-Hai Zhao

  DOI：10.1021/jf9705126

  日期：1997.11.1

  A series of 1-[alk(en)ylsulfinyl]propyl alk(en)yl disulfides (alpha-sulfinyl disulfides) of structure RS(O)CHEtSSR', R, R' = Me, (E,Z)-MeCH=CH, n-Pr, and CH2=CHCH2, termed cepaenes, have been synthesized by a variety of routes including oxidation of 1-[alk(en)ylthio]propyl alk(en)yl disulfides, RSCHEtSSR', termed deoxycepaenes. The cepaenes are identical to compounds isolated from homogenates of onion (Allium cepa) and to compounds identified in these homogenates by liquid chromatography/mass spectrometry, while the deoxycepaenes are identical to compounds found in Allium distilled oils and in other materials: The antithrombotic activities for several cepaenes are reported.