Bis-<2-mercapto-ethyl>-isopropyl-amin | 19031-94-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Bis-<2-mercapto-ethyl>-isopropyl-amin
• 英文别名: 2-[Propan-2-yl(2-sulfanylethyl)amino]ethanethiol；2-[propan-2-yl(2-sulfanylethyl)amino]ethanethiol
• CAS: 19031-94-8
• 化学式: C₇H₁₇NS₂
• 分子量: 179.351
• InChiKey: UBHGSZYMYSKJJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  5.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Bis-<2-mercapto-ethyl>-isopropyl-amin 、 十二羰基三铁 以 四氢呋喃 为溶剂， 生成 [Fe2(μ-S(CH2)2N(n-Pr)(CH2)2S)(CO)6]2
  参考文献：
  名称：

  氮杂二乙基硫醇铁络合物的结构表征：来自 NMR、晶体学和离子淌度质谱的见解

  摘要：

  Fe 3 (CO) 12与氮杂二乙基硫醇反应得到[Fe 2 (μ-S(CH 2 ) 2 NR(CH 2 ) 2 S)(CO) 6 ] 2 (R = n Pr, 1A ; i Pr, 2A )。结构分析表明， 1A具有反-(a,e,a,e)构型，而异丙基2A则采用顺式-(a,e,a,e)构型。室温下的 NMR 测量证实了这种结构，显示出 2 个 NCH 2和 2 个 SCH 2亚甲基的不同信号。 1 – 2的酸处理产生 N-质子化物质（ 1A–H、2A–H ），保持抗-(a,e,a,e) 构型。通过 X 射线单晶分析， 1B–H的分离揭示了顺式-(a,e,e,a) 和反式-(a,e,e,a) 构型。 1A-H的质子化引起亚甲基质子信号的低场位移，NH 氢记录在 6.96 ppm。此外， 1B–H显示出类似的 NMR 行为，表明1B–H的两个异构体分子共存，即顺式-(a,e,e,a) 和反式-(a

  DOI：

  10.1002/jccs.202400107

文献信息

• Biomimetic Model Featuring the NH Proton and Bridging Hydride Related to a Proposed Intermediate in Enzymatic H₂ Production by Fe-Only Hydrogenase
  作者：Ming-Hsi Chiang、Yu-Chiao Liu、Shu-Ting Yang、Gene-Hsiang Lee

  DOI：10.1021/ic900564q

  日期：2009.8.17

  azadithiolate phosphine-substituted complex and its protonated species featuring the NH proton and/or bridging Fe hydride, [Fe2(μ-S(CH2)2NnPr(H)m(CH2)2S)(μ-H)n(CO)4(PMe3)2]2(2m+2n)+ (1, m = n = 0; [1−2HN]2+, m = 1, n = 0; [1−2HN2HFe]4+, m = n = 1), are prepared to mimic the active site of Fe-only hydrogenase. X-ray crystallographic analyses of these three complexes reveal that two diiron subunits are linked by

  氮杂二硫代磷酸铁膦取代物及其质子化物种，具有NH质子和/或桥连氢化铁[Fe 2（μ-S（CH 2）2 N n Pr（H）m（CH 2）2 S）（μ- 1H）ñ（CO）4（PME 3）2 ] 2 （2米2 ñ）+（1，米= ñ = 0; [1 - 2H ñ ] 2+，米= 1，ñ = 0; [1- 2H Ñ 2H铁] 4+，米= Ñ = 1）中，准备以模仿仅有Fe的氢化的活性位点。这三个复合物的X射线晶体学分析表明，两个二铁亚基通过两个氮杂二亚乙基硫醇盐桥连接在一起，构成了二聚体结构。31 P NMR光谱证实二铁部分内的两个三甲基膦配体以顶/基构型排列，这与固态结构表征一致。在NH质子去质子化[1 - 2H Ñ ] 2+和[1 - 2H Ñ2H铁] 4+出现在三乙醇胺的存在下（TEOA），其产生1和[ 1 - 2H铁] 2+，分别。Fe氢化物的去质子化是通过添加氯化三三苯基膦亚胺（[PPN]
• Benzazepine compounds, conjugates, and uses thereof
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  公开号：US10239862B2

  公开（公告）日：2019-03-26

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  申请人：Ohio State Innovation Foundation

  公开号：US11351222B2

  公开（公告）日：2022-06-07

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• DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF
  申请人：Ohio State Innovation Foundation

  公开号：US20190282654A1

  公开（公告）日：2019-09-19

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