4-叔丁基环己烷-1-羧酸乙酯 | 63767-85-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 4-叔丁基环己烷-1-羧酸乙酯
• 英文名称: ethyl 4-tert-butylcyclohexane-1-carboxylate
• 英文别名: Ethyl 4-tert-butylcyclohexanecarboxylate；ethyl 4-t-butylcyclohexylcarboxylate；Ethyl-4-tert-butyl-cyclohexancarboxylat
• CAS: 63767-85-1
• 化学式: C₁₃H₂₄O₂
• mdl: MFCD16664515
• 分子量: 212.332
• InChiKey: UJJRIUTYQOLWGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.923
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-叔丁基环己烷-1-羧酸乙酯 在 正丁基锂 、 水 、 二异丙胺 、 lithium chloride 作用下， 以 二甲基亚砜 为溶剂， 反应 3.5h， 生成 Ethyl cis-4-tert-butylcyclohexanecarboxylate
  参考文献：
  名称：

  Stereochemistry of decarbalkoxylation of cyclic geminal diesters effected by water and lithium chloride in dimethyl sulfoxide

  摘要：

  DOI：

  10.1021/jo01309a007
• 作为产物：
  描述：

  4-叔丁基环己基甲酸 在 吡啶 、 氯化亚砜 作用下， 反应 1.0h， 生成 4-叔丁基环己烷-1-羧酸乙酯
  参考文献：
  名称：

  Diastereoselection in the decarbalkoxylation reaction. Effect of nonbonded ring oxygens in the reactions of geminal diesters

  摘要：

  DOI：

  10.1021/jo00321a049

文献信息

• Concave Reagents. New 2'-Substituted m-Terphenyls
  作者：Michael Abbass、Christine Kühl、Christian Manthey、Anja Müller、Ulrich Lüning

  DOI：10.1135/cccc20041325

  日期：——

  New 2'-substituted 2,2'',6,6''-tetramethyl-1,1':3',1''-terphenyls have been synthesized. Solubility of concave acids 4b-6b could be enhanced by substitution in 4 and 4'' position, allowing the study of hydrogen-bonded heterodimers. Concave acids show larger binding constants for 2-amidopyridines 7 than non-macrocyclic ones, probably due to the prevention of homodimer formation by the macrocyclic shielding. New 2,6-diarylbenzyl alcohols 1d, 8d and 9d have been synthesized and tested in protonation reactions. New functional groups were introduced into the 2' position: OH (phenols 1f and 12f) and NH₂ (aniline 1j). The basicity of aniline 1j in ethanol was determined by titration and was compared to other bases. Also sulfonic acids 1l and 17l were prepared, and the corresponding methyl esters 1m and 17m were tested as methylating agents.

  新的2'-取代的2,2'',6,6''-四甲基-1,1':3',1''-联苯已经合成。凹面酸4b-6b的溶解度可以通过在4和4''位置进行取代而增强，从而允许研究氢键异二聚体。凹面酸对2-氨基吡啶7显示出比非大环化合物更大的结合常数，可能是由于大环屏蔽阻止了同二聚体形成。新的2,6-二芳基苄醇1d、8d和9d已经合成并在质子化反应中进行了测试。新的官能团被引入到2'位置：OH（酚1f和12f）和NH₂（苯胺1j）。苯胺1j在乙醇中的碱性通过滴定法确定，并与其他碱进行了比较。此外，磺酸1l和17l已经制备，并且相应的甲酯1m和17m作为甲基化试剂进行了测试。
• SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS
  申请人：Bignan Gilles

  公开号：US20110294780A1

  公开（公告）日：2011-12-01

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎，动脉粥样硬化，关节炎（如类风湿关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的癌症），心血管疾病，软骨相关疾病（如软骨损伤/丧失，软骨退化以及与软骨形成有关的疾病），软骨发育不良，软骨肉瘤，慢性腰部损伤，慢性支气管炎，慢性炎症性气道疾病，慢性阻塞性肺疾病，糖尿病，能量稳态紊乱，痛风，假性痛风，脂质紊乱，代谢综合征，多发性骨髓瘤，肥胖，骨关节炎，遗传性骨发育不全，骨溶解性骨转移，软骨软化症，骨质疏松症，帕金森病，牙周病，多肌痛风，Reiter综合征，重复性应激损伤，高血糖，血糖水平升高和胰岛素抵抗等病症的方法。
• Fungicidal spirocyclic amines
  申请人：American Cyanamid Company

  公开号：US05849802A1

  公开（公告）日：1998-12-15

  New antimicrobial spirocarbocyclic compounds are described, having the general formula I, ##STR1## or an acid-addition salt thereof, in which R.sub.1 represents an optionally substituted alkyl, cycloalkyl, cycloalkylalkyl, alkoxy, cycloalkoxy, alkoxyalkyl, aralkyl group R.sub.2 and R.sub.3 each independently represent hydrogen or an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, bicycloalkyl, tricycloalkyl, alkoxyalkyl, aralkyl, aryl or haloaralkyl, a 4- to 6-membered heterocyclyl, tetrahydrofuryl or dioxolanyl group, or R.sub.2 and R.sub.3, together represents an optionally substituted, saturated or unsaturated chain which may optionally contain one or more oxygen atoms and which may optionally be aryl- or cycloalkyl-fused, and n represents zero or an integer from 1 to 3. The invention further relates to the preparation of the above spirocarbocyclic compounds, intermediates prepared during the synthesis of these compounds, compositions containing the compounds and their use as fungicides in the control of phytopathogenic fungi.

  本发明涉及一种新的抗微生物螺环烷化合物，其具有通式I，##STR1## 或其酸加成盐，其中R.sub.1代表可选取代的烷基、环烷基、环烷基烷基、烷氧基、环烷氧基、烷氧基烷基、芳基烷基；R.sub.2和R.sub.3各自独立地代表氢或可选取代的烷基、烯基、炔基、环烷基、环烷基烷基、双环烷基、三环烷基、烷氧基烷基、芳基烷基、芳基或卤代芳基烷基、4-至6-成员杂环基、四氢呋喃基或二氧杂环戊基；或R.sub.2和R.sub.3一起代表可选取代的饱和或不饱和链，该链可以可选地包含一个或多个氧原子，并且可以可选地与芳基或环烷基融合，n表示零或1至3的整数。本发明还涉及上述螺环烷化合物的制备，制备这些化合物期间制备的中间体，含有该化合物的组合物以及其作为杀菌剂在控制植物病原真菌方面的使用。
• Synthesis of Cyclobakuchiols A, B, and C by Using Conformation-Controlled Stereoselective Reactions
  作者：Hidehisa Kawashima、Yuki Kaneko、Masahiro Sakai、Yuichi Kobayashi

  DOI：10.1002/chem.201303538

  日期：2014.1.3

  positions, respectively. This product was converted to cyclobakuchiol A by demethylation and to cyclobakuchiol C by epoxidation of the CH2C(Me) group. For the synthesis of cyclobakuchiol B, the enantiomer of the above cyclohexanone derived from (−)‐β‐pinene was converted to the cyclohexane‐carboxylate, and the derived enolate was subjected to the reaction with CH2CHSOPh followed by sulfoxide elimination

  与环己酮p MeOC 6 H ^ 4和CH 2 C（Me）中的取代基在C3和C4位，由（+）制备-接着还原β蒎烯和由正宗-Wittig反应转化为烯丙基吡啶甲酸甲酯和酯化。此吡啶甲酸甲酯与我的烯丙基取代2 CuMgBr ⋅ MgBr 2在ZnI存在2与进行γ区域选择性和立体选择性地得到环己烷环上的季碳中心与CH 2CH和Me分别位于轴向和赤道位置。该产物通过脱甲基转化为环爆酚A，并通过CH 2 = C（Me）基团的环氧化转化为环爆酚C。（ - ） - β蒎烯转化成环己烷羧酸酯，和所导出的烯醇化物进行用CH下反应cyclobakuchiol B的合成中，上述的环己酮的对映异构体衍生自2 CHSOPh接着亚砜消除，得到中间用MeOC（O）和CH季碳中心2在轴向和赤道位置CH基团。将MeOC（= O）基团转变为Me基团，以完成环爆酚B的合成。
• Modulators of muscarinic receptors
  申请人：Makings R. Lewis

  公开号：US20070043023A1

  公开（公告）日：2007-02-22

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及毒蕈碱受体调节剂。本发明还提供了包含这种调节剂的组合物，并提供了使用这种组合物治疗毒蕈碱受体介导疾病的方法。