2-(羟甲基)己腈 | 83576-51-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(羟甲基)己腈
• 英文名称: 2-(Hydroxymethyl)hexanenitrile
• CAS: 83576-51-6
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: HDSISBYFWQMMHT-UHFFFAOYSA-N

物化性质

• 沸点：
  256.2±13.0 °C(Predicted)
• 密度：
  0.939±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-Cyano-hexanethioic acid S-tert-butyl ester 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以98%的产率得到2-(羟甲基)己腈
  参考文献：
  名称：

  有机合成中的硫醇酯。：十一。一种简便的方法来制备β-羟基丙腈和丙烯腈，氰基硫代乙酸盐作为掩盖的β-羟基丙腈碳负离子

  摘要：

  通过使用氰基硫羟乙酸酯作为β-羟基丙腈碳负离子的形式等效物，可以简化β-羟基丙腈和丙烯腈的制备。

  DOI：

  10.1016/s0040-4039(00)88582-2

文献信息

• Micellar media for the efficient ring opening of epoxides with CN–, N3–, NO3–, NO2–, SCN–, Cl– and Br– catalyzed with Ce(OTf)4
  作者：Nasser Iranpoor、Habib Firouzabadi、Marzieh Shekarize

  DOI：10.1039/b211697a

  日期：2003.2.11

  Micellar media are introduced for the efficient ring opening of epoxides with sodium salts of nucleophiles such as CN−, N3−, NO3−, NO2−, SCN−, Br− and Cl−, catalyzed with Ce(OTf)4. This method is an efficient procedure for the synthesis of different β-substituted alcohols under mild reaction conditions. The reaction with SCN− is an easy procedure for the high yielding preparation of epoxy sulfides.

  引入胶束介质以高效地打开环氧化物，使用如CN⁻、N3⁻、NO3⁻、NO2⁻、SCN⁻、Br⁻和Cl⁻等亲核盐，并用Ce(OTf)₄催化。这种方法是在温和反应条件下合成不同β-取代醇的高效程序。与SCN⁻的反应是一种简单的程序，用于高产率制备环氧硫化物。
• Ring Opening of Epoxides with Sodium Cyanide Catalyzed with Ce(OTf)₄
  作者：N. Iranpoor、M. Shekarriz

  DOI：10.1080/00397919908086225

  日期：1999.7

  Abstract Efficient and regioselective conversion of epoxides to β-hydroxy nitriles with sodium cyanide in the presence of catalytic amounts of Ce(OTf)4 is described under solvent free conditions.

  摘要描述了在无溶剂条件下，在催化量的 Ce(OTf)4 存在下，用氰化钠将环氧化物有效和区域选择性地转化为 β-羟基腈。
• Rho kinase inhibitors
  申请人：——

  公开号：US20040138286A1

  公开（公告）日：2004-07-15

  A compound represented by the formula (1): 1 wherein R 1 —X— indicates that 1 to 4 R 1 —X— groups are present which may be the same or different, the ring A is a saturated or unsaturated 5-membered heterocyclic ring, X is a single bond, a group represented by the formula: —N(R 3 )—, —O— or —S—, or the like. R 1 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, R 2 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, and R 3 is a hydrogen atom, a substituted or unsubstituted alkyl group, or the like; a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is a useful compound as a therapeutic agent for diseases for which Rho kinase is responsible.

  化合物的化学式为（1）：1，其中R1—X—表示存在1到4个R1—X—基团，可以相同也可以不同，环A是饱和或不饱和的5元杂环，X是单键，一个由式子表示的基团：—N（R3）—，—O—或—S—等。R1是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R2是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R3是氢原子，取代或未取代的烷基或类似物；该化合物的前药或药物可接受的盐是治疗Rho激酶相关疾病的有用化合物。
• Binding agent compositions
  申请人：UNION CARBIDE CORPORATION

  公开号：EP0077036A1

  公开（公告）日：1983-04-20

  Binding agent compositions for inorganic fillers or oxides containing a curable binder such as a hardenable resin, and a ureido-functional organosilicon compound as described. Foundry sand compositions including binding agent compositions as described, sand and a catalyst for the hardenable resin. Shaped products comprising inorganic oxide particles. e.g., sand, a binding agent composition as described and catalyst for the hardenable resin wherein the hardenable resin is in its hardened form. Novel ureido-functional organosilicon compounds having two hydrolyzable or hydroxy groups to the molecule and at least one ureido-functional group in which the ureido group is connected to silicon by means of a group containing at least five carbon atoms.

  用于无机填料或氧化物的结合剂组合物，其中含有可固化的粘合剂，例如可硬化树脂，以及如上所述的脲基官能团有机硅化合物。 铸造砂组合物，其中包括如上所述的结合剂组合物、砂和可硬化树脂的催化剂。 由无机氧化物颗粒组成的定型产品，例如砂、如上所述的结合剂组合物和可硬化树脂的催化剂，其中可硬化树脂为硬化形式。 新型脲基官能团有机硅化合物，其分子中含有两个可水解或羟基以及至少一个脲基官能团，其中脲基通过含有至少五个碳原子的基团与硅相连。
• 3,6-Diphenylpyridazines
  申请人：Chisso Corporation

  公开号：EP0260910A1

  公开（公告）日：1988-03-23

  A compound useful as a constituent of liquid crystal materials for ferroelectric liquid crystal display elements and a liquid crystal composition containing the same are provided, which compound is expressed by the formula wherein R represents a linear or branched chain alkyl group or alkoxy group each of 1 to 20 carbon atoms, R* represents an optically active group of 3 to 16 carbon atoms and X and Y each represent H or F.

  本发明提供了一种可用作铁电液晶显示元件液晶材料成分的化合物以及含有该化合物的液晶组合物，该化合物由式表示 其中 R 代表 1 至 20 个碳原子的直链或支链烷基或烷氧基，R* 代表 3 至 16 个碳原子的光学活性基团，X 和 Y 分别代表 H 或 F。