2-羟基-2,4-二甲基-戊腈 | 4131-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-羟基-2,4-二甲基-戊腈
• 中文别名: 铁(2+)乙二酸酯-甲胺(1:1:2)
• 英文名称: 2-hydroxy-2,4-dimethylpentanenitrile
• 英文别名: 2-hydroxy-2,4-dimethyl-valeronitrile；2-Hydroxy-2,4-dimethyl-valeronitril；Methyl-isobutylketon-cyanhydrin；2-hydroxy-2,4-dimethylpentanonitrile；methyl isobutyl ketone cyanohydrin；methylisobutylketone cyanohydrin
• CAS: 4131-68-4
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: DWZKXPAWEWMLEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  2
• 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

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2-羟基-2,4-二甲基-戊腈 在 氨 作用下， 生成 2-氨基-2,4-二甲基戊腈
  参考文献：
  名称：

  Process for the preparation of azo compounds from amino compounds in the

  摘要：

  该公式的偶氮化合物，其中R.sub.1和R.sub.2中的每一个均选自以下组合：(1) 未取代或取代为羧基、羟基或配有-R.sub.4的烷氧基的C.sub.1 -C.sub.8脂肪烃，其中R.sub.4是C.sub.1 -C.sub.4脂肪烃；(2) C.sub.3 -C.sub.8脂环烃；(3) C.sub.6 -C.sub.10芳香烃；和(4) 由将R.sub.1和R.sub.2与相邻碳原子结合而形成的C.sub.4 -C.sub.12脂环烃，以及R.sub.3选自以下组合：腈、配有-R.sub.4的酯基的COOR.sub.4，其中R.sub.4是C.sub.1 -C.sub.4脂肪烃；COOM的羧酸酯，其中M是碱金属或碱土金属；以及羧酰胺基，这些化合物可用作发泡剂或自由基聚合引发剂，通过将相应的氨基化合物与金属次卤酸盐或烷基次卤酸盐在碱的存在下在异相介质中反应，使用相转移催化剂，所述相转移催化剂选自有机季铵盐、有机季磷盐和大环聚醚组合中的一种，高产率地制备。

  公开号：

  US04272435A1
• 作为产物：
  描述：

  4-甲基-2-戊酮 在 sodium hydrogensulfite 作用下， 生成 2-羟基-2,4-二甲基-戊腈
  参考文献：
  名称：

  Continuous nicardipine infusion to control blood pressure after evacuation of acute cerebral hemorrhage

  摘要：

  Purpose: To explore the long-term effects of the calcium antagonist, nicardipine, on cerebral hemodynamic in patients with acute cerebral hemorrhage, we investigated the effects of nicardipine infusion on intracranial pressure (ICP), middle cerebral arterial blood flow velocity (Vmca), and computed tomographical (CT) findings of bleeding and edema.Methods: Twenty-two patients with acute cerebral hemorrhage were infused with nicardipine for > 72 hr to decrease blood pressure. Blood pressure, heart rate, conscious level, Vmca, pulsatility index (PI, using transcranial Doppler), ICP, cerebral perfusion pressure (CPP) and platelet counts were monitored. CT examination was also performed to detect the changes of bleeding (hematoma) and/or brain edema.Results: Blood pressure decreased (20 to 30% from control, P < 0.05) without any changes in heart rate. Platelet count did not change neither did Vmca and PI change on either the intact or injured side. The ICP decreased 24 hr after the end of infusion from 30 +/- 12 mmHg to 20 +/- 9 mmHg (P = 0.036) but was still higher than normal. The CPP decreased at 24 hr (75 +/- 14 mmHg, P = 0.026) and 72 hr (73 +/- 15 mmHg, P = 0.024) from the baseline (99 +/- 17 mmHg). Conscious level improved but not significantly and CT findings did not show any exacerbation in bleeding or edema.Conclusion: In patients with acute cerebral hemorrhage, nicardipine infusion to decrease blood pressure by 20 to 30% had no effect on Vmca, ICP cerebral bleeding and edema, but decreased CPP.

  DOI：

  10.1007/bf03019868

文献信息

• A new (R)-hydroxynitrile lyase from Prunus mume: asymmetric synthesis of cyanohydrins
  作者：Samik Nanda、Yasuo Kato、Yasuhisa Asano

  DOI：10.1016/j.tet.2005.08.105

  日期：2005.11

  A new hydroxynitrile lyase (HNL) was isolated from the seed of Japanese apricot (Prunus mume). The enzyme has similar properties with HNL isolated from other Prunus species and is FAD containing enzyme. It accepts a large number of unnatural substrates (benzaldehyde and its variant) for the addition of HCN to produce the corresponding cyanohydrins in excellent optical and chemical yields. A new HPLC

  从日本杏（Prunus mume）的种子中分离出一种新的羟腈裂解酶（HNL ）。该酶与从其他李属物种中分离的HNL具有相似的特性，并且是含FAD的酶。它接受大量非天然底物（苯甲醛及其变体）以添加HCN，从而以优异的光学和化学收率生产相应的氰醇。针对该酶开发了一种新的基于HPLC的对映选择性测定技术，该技术可促进在缓冲溶液（pH = 4.5）中将KCN添加到苯甲醛中。
• Absolute Configuration of Ketone Cyanohydrins by ¹H NMR: The Special Case of Polar Substituted Tertiary Alcohols
  作者：Iria Louzao、Rosa García、José Manuel Seco、Ricardo Riguera

  DOI：10.1021/ol8023314

  日期：2009.1.1

  The absolute configuration of ketone cyanohydrins can be assigned from analysis of the 1H NMR spectra of the corresponding (R)- and (S)-MPA ester derivatives and use of ΔδRS signs. This is an application of the NMR methodology for stereochemical assignment to tertiary alcohols possessing polar groups as substituents.

  酮氰醇的绝对构型可以从分析被分配1个相应的（的1 H NMR谱- [R和（ - ）小号）-MPA酯衍生物和使用Δδ RS迹象。这是NMR方法在立体化学上分配给具有极性基团作为取代基的叔醇的应用。
• Method for producing alpha-hydroxycarboxylic acid
  申请人：Nippon Shokubai Co., Ltd.

  公开号：US20030171614A1

  公开（公告）日：2003-09-11

  The present invention relates to: a method for producing &agr;-hydroxycarboxylic acid, which comprises hydrolyzing cyanohydrin in the presence of a hydrocarbon solvent; a method for producing optically active &agr;-hydroxycarboxylic acid, which comprises: producing optically active cyanohydrin by performing a reaction between a carbonyl compound and hydrogen cyanide, using a solvent comprising at least one organic solvent selected from a group consisting of an alcoholic solvent, an ester solvent, an ethereal solvent and a carboxylic solvent; removing said organic solvent from said reaction solvent; and hydrolyzing the remaining reaction mixture without isolating optically active cyanohydrin; a method for producing optically active &agr;-hydroxycarboxylic acid, which comprises hydrolyzing optically active cyanohydrin, using at most 10 equivalents of mineral acid relative to said optically active cyanohydrin under the condition that maximum temperature when reacting is 90° C. or less; and a method for producing optically active crystalline &agr;-hydroxycarboxylic acid, which comprises crystallizing optically active &agr;-hydroxycarboxylic acid in an aqueous solution.

  本发明涉及以下内容： 一种制备α-羟基羧酸的方法，包括在烃溶剂存在下水解腈醇； 一种制备光学活性α-羟基羧酸的方法，包括：使用至少一种有机溶剂所组成的溶剂，所述有机溶剂选自醇类溶剂、酯类溶剂、醚类溶剂和羧酸类溶剂，通过在碳酰化合物和氢氰酸之间进行反应来制备光学活性腈醇；从反应溶剂中去除有机溶剂；在不分离光学活性腈醇的情况下水解剩余反应混合物； 一种制备光学活性α-羟基羧酸的方法，包括在最多使用10当量矿酸相对于所述光学活性腈醇的情况下水解，反应时的最高温度为90°C或更低； 一种制备光学活性结晶α-羟基羧酸的方法，包括在水溶液中结晶光学活性α-羟基羧酸。
• Certain 2-(2'substituted benzoyl)-1,3-cyclohexanediones
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0186119A2

  公开（公告）日：1986-07-02

  Compounds of the formula wherein n is the integer 0, 1 or 2; R is C,-C4 alkyl; R' is hydrogen or C1-C4 alkyl; R2 is hydrogen, C1-C4 alkyl or wherein R8 is C1-C4 alkyl; R' and R2 together are alkylene having 3 to 6 carbon atoms; R3 is hydrogen or C,-C4 alkyl; R4 is hydrogen or C1-C4 alkyl; R5 is hydrogen or C1-C4 alkyl; R6 is hydrogen or C,-C4 alkyl; and R7 and R8 independently are (1) hydrogen; (2) halogen; (3) C1-C4 alkyl; (4) C1-C4 alkoxy; (5) OCFe; (6) cyano; (7) nitro; (8) C1-C4 haloalkyl; (9) RbSOn- wherein n is the integer 0, 1 or 2; and Rb is (a) C1-C4 alkyl; (b) C1-C4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) -NRcRd wherein Rc and Rd independently are hydrogen or C1-C4 alkyl; (11) R8C(O)-wherein Re is C1-C4 alkyl or C'-C4 alkoxy; or (12) SO2NRcRd wherein Rc and Rd are as defined with the proviso that R7 is not attached to the 6-position, are effective as herbicides.

  式中化合物 其中 n 是整数 0、1 或 2；R 是 C，-C4 烷基；R'是氢或 C1-C4 烷基；R2 是氢、C1-C4 烷基或 其中 R8 是 C1-C4 烷基；R'和 R2 一起是具有 3 至 6 个碳原子的亚烷基；R3 是氢或 C,-C4 烷基；R4 是氢或 C1-C4 烷基；R5 是氢或 C1-C4 烷基；R6 是氢或 C,-C4 烷基；和 R7 和 R8 独立地是 (1) 氢；(2) 卤素；(3) C1-C4 烷基；(4) C1-C4 烷氧基；(5) OCFe；(6) 氰基；(7) 硝基；(8) C1-C4 卤代烷基；(9) RbSOn-，其中 n 是整数 0、1 或 2；(10) -NRcRd 其中 Rc 和 Rd 分别为氢或 C1-C4 烷基；(11) R8C(O)-其中 Re 为 C1-C4 烷基或 C'-C4 烷氧基；或 (12) SO2NRcRd 其中 Rc 和 Rd 如所定义，但 R7 不连接到 6 位。
• Certain-2-(2'-alkylbenzoyl)-1,3-cyclohexanediones
  申请人：STAUFFER CHEMICAL COMPANY

  公开号：EP0186120A1

  公开（公告）日：1986-07-02

  Compounds of the formula wherein R is C1-C4, alkyl or CF3; R' is hydrogen or C1-C4 alkyl; R2 is hydrogen, C1-C4 alkyl or wherein R' is C,-C4 alkyl; R1 and R2 together are alkylene having 3 to 6 carbon atoms; R3 is hydrogen or C1-C4 alkyl; R4 is hydrogen or C1-C4 alkyl; R5 is hydrogen or C1-C4 alkyl; R6 is hydrogen or C1-C4 alkyl; and R7 and R8 independently are (1) hydrogen; (2) halogen; (3) C1-C4 alkyl; (4) C1-C4 alkoxy; (5) OCF3; (6) cyano; (7) nitro; (8) C1-C4 haloalkyl; (9) RbSOn- wherein n is the integer 0, 1 or 2; and Rb is (a) C1-C4 alkyl; (b) C1-C4 alkyl substituted with halogen or cyano; (c) phenyl; or (d) benzyl; (10) - NRcRd wherein Rc and Rd independently are hydrogen or C1-C4 alkyl; (11) R°C(O)- wherein R° is C1-C4 alkyl or C1-C4 alkoxy; or (12) SO2NRcRd wherein Rc and Rd are as defined with the proviso that R7 is not attached to the 6-position are effective as herbicides.

  式中的化合物 其中 R 是 C1-C4、烷基或 CF3；R'是氢或 C1-C4 烷基；R2 是氢、C1-C4 烷基或 CF3；R'是氢或 C1-C4 烷基。 其中，R'是C,-C4烷基；R1和R2一起是具有3至6个碳原子的亚烷基；R3是氢或C1-C4烷基；R4是氢或C1-C4烷基；R5是氢或C1-C4烷基；R6是氢或C1-C4烷基；和 R7 和 R8 独立地是 (1) 氢；(2) 卤素；(3) C1-C4 烷基；(4) C1-C4 烷氧基；(5) OCF3；(6) 氰基；(7) 硝基；(8) C1-C4 卤代烷基；(9) RbSOn-，其中 n 是整数 0、1 或 2；(10) - NRcRd 其中 Rc 和 Rd 分别为氢或 C1-C4 烷基；(11) R°C(O)- 其中 R° 为 C1-C4 烷基或 C1-C4 烷氧基；或 (12) SO2NRcRd 其中 Rc 和 Rd 如所定义，但 R7 不连接到 6 位。