1,5-dibromo-3,3-dimethylpentane-2,4-dione | 63518-01-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,5-dibromo-3,3-dimethylpentane-2,4-dione
• CAS: 63518-01-4
• 化学式: C₇H₁₀Br₂O₂
• 分子量: 285.963
• InChiKey: IRJWDDFWUQOGGM-UHFFFAOYSA-N

物化性质

• 沸点：
  306.5±22.0 °C(Predicted)
• 密度：
  1.735±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,5-dibromo-3,3-dimethylpentane-2,4-dione 在 咪唑 、 ruthenium(IV) oxide 、 sodium periodate 、 锂硼氢 、 氯化亚砜 、 硫酸 、 氢氟酸 、 sodium formate 、 四氯化钛 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 199.0h， 生成 1,1,7,7-tetrabromo-4,4-dimethylheptane-3,5-diol
  参考文献：
  名称：

  Synthesis of 1,1-Dibromo-3-hydroxyalkanes via Opening of Cyclic Sulfates

  摘要：

  3-烷氧基-1,1-二溴烷是用于二氨基酸选择性溴锂交换反应的有趣底物。本文通过二溴甲基锂与1,2-二醇的环硫酸酯反应，描述了一种制备前体1,1-二溴-3-羟基烷的通用路线。

  DOI：

  10.1055/s-1996-4193
• 作为产物：
  描述：

  3,3-二甲基-2,4-戊二酮 在 溴 作用下， 以 溶剂黄146 为溶剂， 生成 1,5-dibromo-3,3-dimethylpentane-2,4-dione
  参考文献：
  名称：

  烯桥联的N，N，N'N'-四取代的双（2-氨基-5-噻唑基）亚甲基盐-一种新型的强荧光染料。

  摘要：

  吡咯和若丹明二苯或三苯甲烷染料中氧桥的荧光增强作用与吸收带的显着七色移有关。当桥是亚烷基单元时，不存在这种移位。尽管制备这类化合物很困难，但杂环类似物1的制备相对简单，并且产生了长波长吸收的强荧光染料。

  DOI：

  10.1002/1521-3773(20010202)40:3<552::aid-anie552>3.0.co;2-c

文献信息

• [EN] CYCLIC COMPOUNDS AND METHODS OF USING SAME<br/>[FR] COMPOSÉS CYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHRODINGER INC

  公开号：WO2021134004A1

  公开（公告）日：2021-07-01

  The present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof which are MALT1 inhibitors. The present application also describes pharmaceutical composition comprising a compound of Formula (I), and pharmaceutically acceptable salts thereof, and methods of using the compounds and compositions for treating diseases, such as cancer, autoimmune disorders, and inflammatory disorders.

  本申请涉及以下式（I）的化合物及其药用盐，其在此处定义为MALT1抑制剂。本申请还描述了包括式（I）化合物及其药用盐的药物组合物，以及使用这些化合物和组合物治疗疾病（如癌症、自身免疫性疾病和炎症性疾病）的方法。
• Design of a new class of chiral C 2 -symmetric dipyridylmethane ligands and their application in asymmetric catalysis
  作者：Giorgio Chelucci、Giovanni Loriga、Gabriele Murineddu、Gerard A. Pinna

  DOI：10.1016/s0040-4039(02)02066-x

  日期：2002.11

  A new class of chiral C2-symmetric dipyridylmethane ligands was prepared from naturally occurring monoterpenes, according to a method based on a double Michael–azaannellation–aromatization sequence. These ligands were assessed in the enantioselective palladium-catalyzed allylic alkylation of 1,3-diphenylprop-2-enyl acetate with dimethylmalonate and in the copper-catalyzed cyclopropanation of styrene

  根据基于双迈克尔-氮杂退火-芳构化序列的方法，从天然单萜中制备了一类新的手性C 2对称二吡啶基甲烷配体。这些配体在1，3-二苯基丙-2-烯基乙酸酯与丙二酸二甲酯的对映选择性钯催化的烯丙基烷基化反应中以及在苯乙烯与重氮乙酸乙酯的铜催化的环丙烷化中评价这些配体。获得高达88％ee的对映选择性。
• Novel Materials for N-Type Doping of the Electron Transporting Layers in Organic Electronic Devices
  申请人：Kanitz Andreas

  公开号：US20080297035A1

  公开（公告）日：2008-12-04

  The invention pertains to new materials based on donor carbene intermediates for the improvement of electron injection and electron transport in organic electronic components like organic light-emitting diodes (OLED's), organic field effect transistors (OFET's), and components based on organic photovoltaics, in particular organic solar cells.

  这项发明涉及基于供体卡宾中间体的新材料，用于改善有机电子元件中的电子注入和电子传输，如有机发光二极管（OLED）、有机场效应晶体管（OFET）和基于有机光伏技术的元件，特别是有机太阳能电池。
• [EN] OPTICAL RECORDING MATERIALS HAVING HIGH STORAGE DENSITY<br/>[FR] MATÉRIAUX D'ENREGISTREMENT OPTIQUES DE HAUTE DENSITÉ DE STOCKAGE
  申请人：CIBA SC HOLDING AG

  公开号：WO2006015960A1

  公开（公告）日：2006-02-16

  The invention relates to new compounds of formula (I), (II), (III) or (IV) and their use in the recording layer of an optical recording medium comprising a substrate, a recording layer and optionally one or more reflecting layers. The instant compounds are of formula (I), (II), (III) or (IV) or tautomers thereof, wherein G1 and G2 are each independently of the other formula (V), (VI), (VII), (VIII), (IX), (X), (XI), X1 and X2 are each independently from the other a direct bond or a chain consisting of from 1 to 8 members each selected independently from the group consisting of CR12=CR13, C=CR12R13, CR12R13, C=O, C=S, C=N(R14), N(R14), O or S, preferably a direct bond or a chain consisting of 1, 2, 3 or 4 members, most preferred a direct bond or a chain CR12R13, C=O, C=S, C=N(R14), N(R14), O or S; A1, A2 and A3 are CR15R16, formula (a) , N(R14), O, S, Se, N=C(R18) or CR19=CR20, and A4 is O, S or Se; M1 is a transition metal of groups 9 to 12, preferably Co, Cu, Ni, Pd or Zn, especially Co, Cu or Ni, or is SiR21R22, GeR21R22, PR21R22 or AIR21; and Q1 and Q2 are each independently of the other C(R23) , N or P. For the detailed definitions of the further substituents, see the description. Recording and playback are effected especially at a wavelength of from 350 to 500 nm, for example using a blue laser. The recording and playback quality is excellent and allows a high storage density.

  本发明涉及公式(I)、(II)、(III)或(IV)的新化合物以及它们在光学记录介质的记录层中的使用，该介质包括基板、记录层和可选的一个或多个反射层。这些化合物是公式(I)、(II)、(III)或(IV)或其互变异构体，其中G1和G2各自独立于公式(V)、(VI)、(VII)、(VIII)、(IX)、(X)、(XI)，X1和X2各自独立于直接键或由1到8个成员组成的链，每个成员独立于从CR12=CR13、C=CR12R13、CR12R13、C=O、C=S、C=N(R14)、N(R14)、O或S的群中选择，优选为由1、2、3或4个成员组成的直接键或链，最优选为CR12R13、C=O、C=S、C=N(R14)、N(R14)、O或S的直接键或链；A1、A2和A3是CR15R16、公式(a)、N(R14)、O、S、Se、N=C(R18)或CR19=CR20，A4是O、S或Se；M1是9到12族过渡金属，优选为Co、Cu、Ni、Pd或Zn，特别是Co、Cu或Ni，或者是SiR21R22、GeR21R22、PR21R22或AIR21；Q1和Q2各自独立于C(R23)、N或P。有关其他取代基的详细定义，请参阅说明。特别是在350到500纳米的波长下进行记录和播放，例如使用蓝色激光。记录和播放质量优异，可实现高存储密度。
• Solvent Effect on Product Distribution in Photochemical Pathways of α C−N versus β C−C Cleavage of n,π* Triplet-Excited Azoalkanes
  作者：Waldemar Adam、Jarugu N. Moorthy、Werner M. Nau、J. C. Scaiano

  DOI：10.1021/ja963948v

  日期：1997.6.1

  The product distribution in;the photolysis of the triplet-excited azoalkanes 1a,b depends markedly on the type of solvent used; in contrast, the azoalkanes 1c,d, which undergo efficient deazatization from the singlet-excited state, display solvent-independent photobehavior. Thus, the aziranes 3 are produced essentially exclusively in polar protic solvents, while the housanes 2 predominate in nonpolar ones. The excellent correlation (r(2) = 0.963, seven solvents) of the azirane 3b yield with Gutmann's AN solvent parameter reveals that a combination of solvent properties such as the polarity and polarizability of the medium and the hydrogen-bonding ability is decisive for the photoproduct distribution. That the observed solvent dependence derives from bulk medium effects is borne out by the similar product distribution for the hydroxy-substituted derivative 1f to that for the azoalkane 1b in benzene, i.e., the intramolecular hydroxy functionality in the azoalkane If is ineffective in influencing the photochemistry of the triplet azo chromophore. Selective formation of the aziranes 3 from the triplet-excited azoalkanes 1 in the polar protic solvents is rationalized in terms of solvent stabilization of the more polar transition state for beta cleavage (azirane 3) over that for the alpha scission (housane 2). In marked contrast to the appreciable deuterium isotope effect for quenching of the singlet-excited azoalkanes by protic solvents, the lifetimes (laser-flash photolysis) and reactivity (product analysis) of the triplet azoalkanes are not affected by deuterium substitution.