(methyl)isobutyl ketone | 43209-75-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (methyl)isobutyl ketone
• 英文别名: 2,3,5,6-tetramethyl-heptan-4-one；2,3,5,6-Tetramethyl-heptan-4-on；α.α'-Dimethyl-α.α'-diisopropyl-aceton；methylisobutyl keton；3-Methyl-2-butyl-ketone；2,3,5,6-tetramethylheptan-4-one
• CAS: 43209-75-2
• 化学式: C₁₁H₂₂O
• 分子量: 170.295
• InChiKey: ZBMSFKXADBICML-UHFFFAOYSA-N

物化性质

• 沸点：
  192.0±8.0 °C(Predicted)
• 密度：
  0.815±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-carbamoylmethyl-7-fluoro-2H-1,4-benzoxazin-3(4H)-one 、 (methyl)isobutyl ketone 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 4-cyanomethyl-7-fluoro-2H-1,4-benzoxazin-3(4H)-one
  参考文献：
  名称：

  Benzoxazines and herbicidal use

  摘要：

  化合物I是除草剂，并且也可以被反应转化为腈基，生成的产物同样具有除草剂作用。

  公开号：

  US04798620A1
• 作为产物：
  描述：

  以62%的产率得到(methyl)isobutyl ketone
  参考文献：
  名称：

  Lion, Claude; Dubois, Jacques-Emile, Journal of Chemical Research, Miniprint, 1980, # 2, p. 565 - 576

  摘要：

  DOI：
• 作为试剂：
  描述：

  chloro-acetic acid-(2-bromo-ethyl ester) 、 sodium thiocyanide 在 (methyl)isobutyl ketone 、 铜 、 sodium iodide 作用下， 生成 thiocyanato-acetic acid-(2-thiocyanato-ethyl ester)
  参考文献：
  名称：

  DE708765

  摘要：

  公开号：

文献信息

• [EN] MYCOPHENOLIC ACID RECYCLING IN A METHOD FOR THE PREPARATION OF MYCOPHENOLATE MOFETIL<br/>[FR] RECYCLAGE D'ACIDE MYCOPHÉNOLIQUE DANS UN PROCÉDÉ DE PRÉPARATION DE MYCOPHÉNOLATE MOFÉTIL
  申请人：DSM IP ASSETS BV

  公开号：WO2009010503A1

  公开（公告）日：2009-01-22

  The present invention provides a method for the preparation of mycophenolate mofetil wherein mycophenoiic acid is mixed with 2-morpholinoethanol in a water-immiscible solvent, followed by addition of water and adjustment of the pH to a value ranging from 0 to 3 or ranging from 7 to 10 and separating the organic and aqueous phases. Mycophenolate mofetil is isolated from the relevant phase and the mycophenoiic acid present in the alternate phase is re-used in a conversion of mycophenoiic acid to mycophenolate mofetil.

  本发明提供了一种制备霉酚酸酯的方法，其中将霉酚酸与2-吗啉乙醇混合在不溶于水的溶剂中，然后加入水并将pH值调整到0至3或7至10之间，并分离有机相和水相。从相关相中分离出霉酚酸酯，并将另一相中存在的霉酚酸重新用于将霉酚酸转化为霉酚酸酯。
• [EN] HERBICIDALLY ACTIVE HETEROARYL-S?BSTIT?TED CYCLIC DIONES OR DERIVATIVES THEREOF<br/>[FR] DIONES CYCLIQUES SUBSTITUÉES PAR HÉTÉROARYLE À ACTIVITÉ HERBICIDE OU DÉRIVÉS DE CELLES-CI
  申请人：SYNGENTA LTD

  公开号：WO2011012862A1

  公开（公告）日：2011-02-03

  The invention relates to a compound of formula (I), which is suitable for use as a herbicide wherein G is hydrogen or an agriculturally acceptable metal, sulfonium, ammonium or latentiating group; Q is a unsubstituted or substituted C3-C8 saturated or mono-unsaturated heterocyclyl containing at least one heteroatom selected from O, N and S, or Q is heteroaryl or substituted heteroaryl; m is 1, 2 or 3; and Het is an optionally substituted monocyclic or bicyclic heteroaromatic ring; and wherein the compound is optionally an agronomically acceptable salt thereof.

  该发明涉及一种化合物，其化学式为(I)，适用作为除草剂，其中G为氢或农业可接受的金属、磺酸盐、铵盐或潜伏基团；Q为未取代或取代的含有至少一个来自O、N和S的杂原子的饱和或单不饱和的C3-C8杂环烷基，或Q为杂芳基或取代的杂芳基；m为1、2或3；Het为可选择地取代的单环或双环杂芳环；且该化合物可选择地为其农学上可接受的盐。
• [EN] PROCESS FOR THE PREPARATION OF TETRAZINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE TÉTRAZINE
  申请人：RELIANCE LIFE SCIENCES PVT LTD

  公开号：WO2010058430A1

  公开（公告）日：2010-05-27

  The present invention provides a process for the preparation of a tetrazine derivative of formula (I), or a pharmaceutically acceptable salt thereof wherein R1 represents a hydrogen atom, a straight or branched C1-C6 alkyl group, C2-C6 alkenyl group or C2-C6 alkynyl group, which C1-C6 alkyl group, C2-C6 alkenyl group and C2-C6 alkynyl group is unsubstituted or substituted with 1, 2 or 3 substituents selected from halogen atoms, straight or branched C1-C4 alkoxy groups, C1-C4 alkylthio groups, C1-C4 alkylsulphinyl groups, C1-C4 alkylsulphonyl groups and phenyl groups, which phenyl groups are unsubstituted or substituted with one or more substituents selected from C1-C4 alkyl groups, C1-C4 alkoxy groups and nitro groups; or R1 represents a C3-C8 cycloalkyl group; and R2 represents a group of formula -(C=O)NR3R4, wherein R3 and R4 are independently selected from hydrogen atoms, C1-C4 alkyl groups, C2-C4 alkenyl groups and C3-C8 cycloalkyl groups, which process comprises: i) providing a compound of formula (III), wherein R1 is as defined; R1-N=C=O ii) absorbing the compound of formula (III) into a solvent to obtain a solution of the compound of formula (III); iii) adding to the thus obtained solution a compound of formula (II), to obtain a compound of formula (I), as defined above, wherein R2 is as defined above; iv) decomposing any excess compound of formula (III) remaining by addition of water; and v) optionally salifying the thus obtained compound with a pharmaceutically acceptable acid, or base.

  本发明提供了一种制备式(I)的四氮杂苯衍生物或其药学上可接受的盐的方法，其中R1代表氢原子、直链或支链的C1-C6烷基、C2-C6烯基或C2-C6炔基，所述的C1-C6烷基、C2-C6烯基和C2-C6炔基未取代或取代有1、2或3个卤素原子、直链或支链的C1-C4烷氧基、C1-C4烷基硫基、C1-C4烷基亚砜基、C1-C4烷基砜基和苯基，所述的苯基未取代或取代有一个或多个选自C1-C4烷基、C1-C4烷氧基和硝基的取代基；或者R1代表C3-C8环烷基；R2代表式-(C=O)NR3R4的基团，其中R3和R4独立地选自氢原子、C1-C4烷基、C2-C4烯基和C3-C8环烷基，所述方法包括：i)提供式(III)的化合物，其中R1如上所定义；R1-N=C=O ii)将式(III)的化合物吸收到溶剂中以获得式(III)的溶液；iii)向所得溶液中加入式(II)的化合物，以获得如上所定义的式(I)的化合物，其中R2如上所定义；iv)通过加入水分解任何剩余的式(III)的过量化合物；v)可选地用药学上可接受的酸或碱盐化所得化合物。
• JNK INHIBITOR
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1484320A1

  公开（公告）日：2004-12-08

  A JNK inhibitor containing a compound having an isoquinolinone skeleton or a salt thereof, such as a compound represented by the formula wherein ring A and ring B are each an optionally substituted benzene ring, X is -O-, -N=, -NR3- or -CHR3-, R2 is an acyl group, an optionally esterified or thioesterified carboxyl group, an optionally substituted carbamoyl group or an optionally substituted amino group and the like, a broken line shows a single bond or a double bond, and R1 is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like, and the like.

  一种含有异喹啉酮骨架或其盐的JNK抑制剂，例如由以下公式表示的化合物： 其中环A和环B分别是可选择取代的苯环，X是-O-，-N=，-NR3-或-CHR3-，R2是酰基，可选择酯化或硫酯化的羧基，可选择取代的氨基甲酰基或可选择取代的氨基等，虚线表示单键或双键，R1是氢原子，可选择取代的碳氢基团，可选择取代的杂环基团等。
• [EN] METAL COMPLEX AZO DYES AND THEIR USE IN INK-JET PRINTING<br/>[FR] COLORANTS AZOIQUES A COMPLEXE METALLIFERE ET LEUR UTILISATION DANS L'IMPRESSION A JET D'ENCRE
  申请人：AVECIA LTD

  公开号：WO2004041940A1

  公开（公告）日：2004-05-21

  A metal complex of Formula (1) or salt thereof: wherein: each R1 independently is a substituent; R2 is H or optionally substituted alkyl; each R3 independently is carboxy, phosphato, sulfo, nitro or cyano; each G independently is a substituent; M is a metal; m is 1 to 4; p is 1 to 3; z is 0 to 5; q is 0 to 4; and x is1 to 4. Also compositions comprising these complexes, substrates printed with these compositions, ink-jet printing processes and ink-jet printing cartridges.

  化学式（1）的金属配合物或其盐：其中：每个R1独立地是一个取代基；R2是H或可选择地取代的烷基；每个R3独立地是羧基、磷酸基、磺酸基、硝基或氰基；每个G独立地是一个取代基；M是金属；m为1至4；p为1至3；z为0至5；q为0至4；x为1至4。还包括含有这些配合物的组合物，用这些组合物印刷的基板，喷墨打印工艺和喷墨打印墨盒。