α,α-dimethyl-4-methylbenzyl methyl ether | 55708-37-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α,α-dimethyl-4-methylbenzyl methyl ether
• 英文别名: 2-methoxy-2-(4'-methylphenyl)propane；p-(1-methoxy)-isopropyltoluene；4-methylcumyl methyl ether；methoxy-p-cymen-8-ol；4-(1-methoxy-1-methyl-ethyl)-toluene；4-(1-methoxy-1-methylethyl)-toluene；1-(2-Methoxypropan-2-yl)-4-methylbenzene
• CAS: 55708-37-7
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: YCCVSCJOXISVEI-UHFFFAOYSA-N

物化性质

• 沸点：
  206.1±9.0 °C(Predicted)
• 密度：
  0.918±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  α,α-dimethyl-4-methylbenzyl methyl ether 生成 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene
  参考文献：
  名称：

  DEGNER, DIETER;GRAMLICH, WALTER;LENGSFELD, WOLFGANG;SCHUSTER, LUDWIG

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 2-溴-2-(4'-甲基苯基)丙烷 生成 α,α-dimethyl-4-methylbenzyl methyl ether
  参考文献：
  名称：

  Photochemically generated ion and radical pairs. Self-destructive charge-transfer complexes

  摘要：

  Irradiation of CT complexes between 4-methoxy-4'-X-bicumenes, 1a-e (X = H, a; OMe, b; Me, c, CF3, d, CN, e) and tetranitromethane (2) results in efficient generation of radical and ion pairs (phi-almost-equal-to 0.20). The identity of the final products depends on the dynamics of these pairs, which in turn is dramatically influenced by substitution and solvent. In all cases, 2.- dissociates rapidly ( < 3 ps) into (NO2)C-3(-) (4-) and NO2.. In CH2Cl2, 1a.+ reacts with 4- (aromatic trinitromethylation) and undergoes C-C bond fragmentation before diffusional separation of fragments can occur. Thus, a tetrad of reactive intermediates (cumyl radical, NO2., p-methoxycumyl cation and 4-) are produced in a single solvent cage. The cumyl radical is oxidized by 2, and both cumyl cations undergo alpha-trinitromethylation. The cumyl cations undergo trinitromethylation in the original solvent cage which is kinetically equivalent to a contact ion pair (CIP). In CH3CN the fragmentation is accompanied by aromatic nitration (radical collapse). In this solvent, the p-methoxycumyl cations produced by cleavage reaction undergo trinitromethylation at the CIP stage, but cumyl cations produced by thermal oxidation of the cumyl radicals are trapped by 4- at the solvent-separated ion pair stage. In CH2Cl2, 1b-c.+ undergo exclusively fragmentation, completely within the solvent cage. The cleavage of 1d-e.+ is much slower, and the radical cations undergo instead aromatic trinitromethylations. The observed substituent effect on the rate of cleavage (p+ = -2.2) indicates significant charge transfer across the scissile bond in the transition state for this process. The products of these reactions are predominantly derived from ion annihilation. The radical coupling processes are limited to radical cation/radical collapse that lead to nitrated products.

  DOI：

  10.1021/jo00313a021

文献信息

• [EN] TRPML MODULATORS<br/>[FR] MODULATEURS DE TRPML
  申请人：CASMA THERAPEUTICS INC

  公开号：WO2021127337A1

  公开（公告）日：2021-06-24

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物、药学上可接受的组合物以及使用这些化合物的方法。
• [EN] PYRAZOLE COMPOUNDS AS BTK INHIBITORS<br/>[FR] COMPOSÉS DE PYRAZOLE UTILISÉS EN TANT QU'INHIBITEURS DE BTK
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015116485A1

  公开（公告）日：2015-08-06

  The present invention encompasses compounds of the formula (I) wherein the groups R1, Cy, and Y are defined herein, which are suitable for the treatment of diseases related to BTK, process of making, pharmaceutical preparations which contain compounds and their methods of use.

  本发明涵盖了式(I)中定义的基团R1、Cy和Y的化合物，这些化合物适用于治疗与BTK相关的疾病，包括制备过程、含有化合物的药物制剂以及它们的使用方法。
• Metal-catalyzed Organic Photoreactions. Photoreactions of Compounds Containing a Carbon-oxygen or Carbon-nitrogen Multiple Bond with Alcohols in the Presence of Titanium(IV) Chloride or Uranyl Chloride
  作者：Tadashi Sato、Shigeo Yoshiie、Takashi Imamura、Kazumi Hasegawa、Masayuki Miyahara、Shigeo Yamamura、Osamu Ito

  DOI：10.1246/bcsj.50.2714

  日期：1977.10

  α,β-Unsaturated carbonyl compounds and esters, cyclopropyl ketones, β-diketones, Schiff’s bases, and nitriles were irradiated in several alcohols in the presence of titanium(IV) chloride or uranyl chloride. In the titanium(IV) chloride-catalyzed reactions, the α-carbon atom of the primary alcohols underwent a bond formation, generally with the C=X (or C≡N) carbon atom of the substrates, while the bond

  α,β-不饱和羰基化合物和酯、环丙基酮、β-二酮、席夫碱和腈在几种醇中在氯化钛 (IV) 或氯化铀存在下进行辐照。在氯化钛 (IV) 催化的反应中，伯醇的 α-碳原子发生键形成，通常与底物的 C=X（或 C≡N）碳原子形成键，而键形成发生在氯化铀催化反应中底物的 C=C 碳原子。在几种条件下检查了反应，并提出了可能的反应方案。
• Mesolytic Scission of C−C Bonds as a Probe for Photoinduced Electron Transfer Reactions of Quinones
  作者：Przemyslaw Maslak、William H. Chapman

  DOI：10.1021/jo952102r

  日期：1996.1.1

  Photoinduced electron transfer reactions of chlorinated benzoquinones are investigated using bibenzylic donors that undergo rapid fragmentation upon oxidation. The fragmentation rates and the quantum yields are used to probe the dynamics of back-electron transfer (BET) in two types of radical ion pairs. The triplet ion pairs formed by interception of excited state quinones give products with high quantum

  使用联苄供体，研究了氯化苯醌的光诱导电子转移反应，该供体在氧化时会发生快速断裂。碎片率和量子产率用于探测两种类型的自由基离子对中背电子转移（BET）的动力学。通过拦截激发态醌形成的三重态离子对可提供具有高量子产率的产物。由醌和供体之间的电荷转移（CT）配合物辐照形成的单线态离子对进行反应的效率明显降低。与CT辐射相比，第一种方法（三重态猝灭）的优势取决于BET的能量。对于BET相对较小DeltaG（et）的反应，此值较大；对于负DeltaG（bet）较高的反应，此值减小。
• Novel benzaldehyde derivatives, their preparation, and their use
  申请人：BASF Aktiengesellschaft

  公开号：US04814510A1

  公开（公告）日：1989-03-21

  Benzaldehyde derivatives of the general formula I, where X is an oxygen atom or two R.sup.2 O groups and R.sup.1 and R.sup.2 are alkyl radicals of 1-4 carbon atoms, their preparation, and their use as odorants or odorant intermediates. ##STR1##

  本发明涉及一种一般式I的苯甲醛衍生物，其中X是氧原子或两个R.sup.2 O基团，而R.sup.1和R.sup.2是1-4个碳原子的烷基基团，其制备以及它们作为气味剂或气味剂中间体的用途。 ## STR1 ##