2,2,3-trimethylbutanal | 86290-37-1

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 2,2,3-trimethylbutanal
• CAS: 86290-37-1
• 化学式: C₇H₁₄O
• 分子量: 114.188
• InChiKey: PRFUJBMOTAXNJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,3-trimethylbutanal 在 titanium(IV) isopropylate 、 盐酸 、 sodium sulfate 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 48.0h， 生成 (1E,2E)-N¹,N²-bis((R)-3,3,4-trimethylpentan-2-yl)ethane-1,2-diimine
  参考文献：
  名称：

  未活化二烯的交叉区域和对映选择性铁催化 [4+2]-环加成

  摘要：

  描述了未活化的支链和直链二烯的对映选择性铁催化交叉-[4+2]-环加成。所示方法提供了在非常温和的反应条件下非常有效且原子经济地获得手性 1,3-取代的乙烯基环己烯的途径。开发手性双-二氢异喹啉配体类别对于获得优异水平的化学选择性、区域选择性和对映选择性至关重要。

  DOI：

  10.1002/anie.202112148
• 作为产物：
  描述：

  2,3-Epoxy-2,4-dimethyl-pentan 在 硫酸 作用下， 生成 2,2,3-trimethylbutanal
  参考文献：
  名称：

  Hickinbottom et al., Journal of the Chemical Society, 1955, p. 1360,1362

  摘要：

  DOI：

文献信息

• [EN] PYRAZOLONE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATOR<br/>[FR] COMPOSES DE PYRAZOLONE ET ACTIVATEUR DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004033433A1

  公开（公告）日：2004-04-22

  A preventive, therapeutic or improving agent for diseases against which activation of the thrombopoietin receptor is effective or a platelet increasing agent, which contains a thrombopoietin receptor activator represented by the formula (1): wherein A is a C?2-14#191 aryl group, B is a hydrogen atom, a C?1-6#191 alkyl group, a C?1-3#191 alkyl group substituted with one or more fluorine atoms or a C?2-14#191 aryl group, D is a hydrogen atom, a C?1-6#191 alkyl group, a C?1-3#191 alkyl group substituted with one or more fluorine atoms or a C?2-14#191 aryl group, and E is a C?2-14#191 aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the activator or a solvate thereof, as an active ingredient.

  一种预防、治疗或改善针对血小板生成素受体激活有效的疾病的药剂或增加血小板的药剂，其中包含由式（1）表示的血小板生成素受体激活剂：其中A是C?2-14#191芳基，B是氢原子，C?1-6#191烷基，一个或多个氟原子取代的C?1-3#191烷基或C?2-14#191芳基，D是氢原子，C?1-6#191烷基，一个或多个氟原子取代的C?1-3#191烷基或C?2-14#191芳基，E是C?2-14#191芳基，激活剂的互变异构体、前药或药用可接受的盐或其溶剂，作为活性成分。
• [EN] 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS<br/>[FR] UTILISATION DE COMPOSES HETEROARYLES A SUBSTITUTION 3-ALKYLIDENEHYDRAZINO EN TANT QU'ACTIVATEURS DU RECEPTEUR DE LA THROMBOPOIETINE
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2004108683A1

  公开（公告）日：2004-12-16

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR4, B is an oxygen atom, a sulfur atom or NR9 (provided that when A is a nitrogen atom, B is not NH), R1 is a C2-14; aryl group, L1 is a bond, CR10R11, an oxygen atom, a sulfur atom or NR12, X is OR13, SR13 or NR14NR15, R2 is a hydrogen atom, a formyl group, a C1-10; alkyl group or the like, L2 is a bond or the like, L3 is a bond, CR17R18, an oxygen atom, a sulfur atom or NR19, L4 is a bond, CR20R21, an oxygen atom, a sulfur atom or NR22, Y is an oxygen atom, a sulfur atom or NR23, and R3 is a C2-14; aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的结构式（1）如下：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基、化合物的互变异构体、前药或药学上可接受的盐或其溶剂化合物。
• Method for producing anellated tetrahydro-{1h}-triazoles
  申请人：——

  公开号：US20040097728A1

  公开（公告）日：2004-05-20

  The present invention relates to a process for preparing fused tetrahydro-[ 1 H]-triazoles of the formula I 1 where the variables R a , Z, Z 1 , X, W, n and Q are as defined in claim 1, by cyclization of compounds of the formula II 2 where R is C(X)OR 2 or C(X)SR 2 , where X is oxygen or sulfur, and R 2 is as defined in claim 1, in the presence of a base. The invention also relates to compounds of the formula I where W is sulfur if Z is a methylene group optionally substituted by R a , and furthermore to compounds of the formula I where Q is a benzoxazole or benzothiazole radical, and to the use of these compounds as herbicides.

  本发明涉及一种制备公式I的熔融四氢咪唑的方法，其中变量Ra、Z、Z1、X、W、n和Q如权利要求1中定义，通过在碱存在下，将公式II的化合物环化得到，其中R为C(X)OR2或C(X)SR2，其中X为氧或硫，R2如权利要求1中定义。该发明还涉及公式I的化合物，其中如果Z是可选地由Ra取代的亚甲基基团，则W为硫，此外还涉及公式I的化合物，其中Q为苯并噁唑或苯并噻唑基团，并将这些化合物用作除草剂。
• ALPHA-SUBSTITUTED VINYLTIN COMPOUND
  申请人：Tatsuta Kuniaki

  公开号：US20090023939A1

  公开（公告）日：2009-01-22

  To provide α-substituted vinyltin useful for the search for function-developing substances such as pharmaceuticals/agrichemicals and functional materials and for the construction of a compound library. An α-substituted vinyltin compound represented by the formula (1), a tautomer or salt of the compound or a solvate thereof: R 2 CH═C(R 3 )Sn(R 1 ) 3 (1) wherein R 1 is a C 1-10 alkyl group, a C 2-14 aryl group or the like, R 2 is a C 2-14 aryl group, a C 2-9 heterocyclyl group, a C 3-10 cycloalkyl group or the like, and R 3 is a carbamoyl group, a thiocarbamoyl group, an isocyanate group, an isothiocyanate group, a formylamino group, a thioformylamino group, an isonitrile group, an urea group, a carbamate group or the like.

  提供α-取代的乙烯基锡，用于寻找功能发展物质，如药物/农药和功能材料，以及用于构建化合物库。由下式表示的α-取代的乙烯基锡化合物（1）或其互变异构体或盐或溶剂合物：R2CH═C(R3)Sn(R1)3（1）其中R1是C1-10烷基，C2-14芳基或类似物，R2是C2-14芳基，C2-9杂环基，C3-10环烷基或类似物，R3是氨基甲酰基，硫氨基甲酰基，异氰酸酯基，异硫氰酸酯基，甲酰氨基基，硫代甲酰氨基基，异腈基，脲基，氨基甲酸酯基或类似物。
• Intramolekulare reaktionen von alkylcarbenen
  作者：W. Kirmse、G. Wächtershäuser

  DOI：10.1016/0040-4020(66)80102-3

  日期：1966.1

  Various branched alkylcarbenes have been generated by alkaline decomposition of the corresponding tosylhydrazones. The intramolecular insertion reactions of these carbenes (formation of cyclopropanes) proceed with appreciable discrimination which depends strongly on steric effects. The product ratios are consistently explained by a transition state with approximately planar (eclipsed) configuration

  通过相应的甲苯磺酰hydr的碱分解已经产生了各种支链的烷基卡宾。这些卡宾的分子内插入反应（环丙烷的形成）进行明显的区分，这很大程度上取决于空间效应。产物比率始终由具有卡宾-碳和碳-氢键的近似平面（偏光）构型的过渡态来解释。烷基卡宾的选择性随摩尔的增加而增加。重量