6-[(S)-(-)-2-methyl-1-butyloxycarbonylamino]hex-1-yl isocyanate | 310441-97-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-[(S)-(-)-2-methyl-1-butyloxycarbonylamino]hex-1-yl isocyanate
• 英文别名: (S)-(-)-2-methyl-1-butyloxy-carbonyl-amino-hexyl-isocyanate；6-((s)-(-)-2-Methylbutoxycarbonylamino)hexyl isocyanate；[(2S)-2-methylbutyl] N-(6-isocyanatohexyl)carbamate
• CAS: 310441-97-5
• 化学式: C₁₃H₂₄N₂O₃
• 分子量: 256.345
• InChiKey: IDFWCASBDZSOON-LBPRGKRZSA-N

物化性质

• 沸点：
  371.5±25.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  S-(-)-2-甲基-1-丁醇 、 1,6-己二异氰酸酯 以 四氢呋喃 为溶剂， 生成 6-[(S)-(-)-2-methyl-1-butyloxycarbonylamino]hex-1-yl isocyanate
  参考文献：
  名称：

  Anionic Living Polymerization of Monomers with Photo-Electronic Properties for Control of Polymeric Nano Architectures

  摘要：

  Block copolymers, 9-ethylcarbazolyl methacrylate (CzMA) with 3-nitro-9-ethylcarbazolyl methacrylate (NCzMA), and styrene with uptically functionalized isocyanates containing disperse red 1 (DRlNCO) and (s)-(-)-2-methylbutanol (MBI), were prepared by anionic polymerization for photo-electronic materials. The living condition of CzMA was found at -78 degreesC for 3 h with diethyl zinc and block copolymers of CzMA with NCzMA were synthesized successfully. The polymers show potential to be used as energy transfer materials in UV and PL spectra. Block copolymers of styrene with optically functionalized isocyanates were also synthesized with high yield and the polymers showed the large optical activity at 476 nm.

  DOI：

  10.1080/10587250008024853

文献信息

• Anionic Living Polymerization of Monomers with Photo-Electronic Properties for Control of Polymeric Nano Architectures
  作者：Yeong-Deuk Shin、Young-Sun Cho、Jang-Joo Kim、Jae-Suk Lee、Song-Hee Han、Jeong Weon Wu

  DOI：10.1080/10587250008024853

  日期：2000.9

  Block copolymers, 9-ethylcarbazolyl methacrylate (CzMA) with 3-nitro-9-ethylcarbazolyl methacrylate (NCzMA), and styrene with uptically functionalized isocyanates containing disperse red 1 (DRlNCO) and (s)-(-)-2-methylbutanol (MBI), were prepared by anionic polymerization for photo-electronic materials. The living condition of CzMA was found at -78 degreesC for 3 h with diethyl zinc and block copolymers of CzMA with NCzMA were synthesized successfully. The polymers show potential to be used as energy transfer materials in UV and PL spectra. Block copolymers of styrene with optically functionalized isocyanates were also synthesized with high yield and the polymers showed the large optical activity at 476 nm.
• Anionic Polymerization of Isocyanates with Optically Active Properties
  作者：Yeong-Deuk Shin、Jun-Hwan Ahn、Jae-Suk Lee

  DOI：10.1080/10587250108030068

  日期：2001.10

  Random copolymers, an optically functionalized isocyanate containing disperse red 1 (DR1NCO) with a chiral isocyanate containing (s)-(-)-2-methylbutanol (MBI), were prepared by anionic polymerization in THF at -98 degreesC with Na-Naph as a two-directional initiator. As the contents of MBI in the copolymer increased, the optical rotation of the polymer was also increased. To study about the optical activity change with initiator systems, homo polymer of MBI was synthesized with one-directional and two-directional initiator. The difference of optical activity in both systems was investigated using Circular Dichroism (CD) spectroscopy and optical rotation.