1-hydroxycyclohexanecarboxaldehyde | 52329-71-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-hydroxycyclohexanecarboxaldehyde
• 英文别名: 1-hydroxy-cyclohexanecarbaldehyde；1-hydroxycyclohexanecarbaldehyde；1-Hydroxy-cyclohexancarbaldehyd；1-Formylcyclohexanol；1-hydroxycyclohexane-1-carbaldehyde
• CAS: 52329-71-2
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: OLGCGYLUNYDEOV-UHFFFAOYSA-N

物化性质

• 熔点：
  84 °C(Solv: hexane (110-54-3))
• 沸点：
  102-108 °C(Press: 10 Torr)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-hydroxycyclohexanecarboxaldehyde 在 正丁基锂 、 四丁基氟化铵 、 mercuric triflate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 5.83h， 生成 1,6-dioxa-dispiro[4.1.5.2]tetradec-13-ene
  参考文献：
  名称：

  A Highly Efficient Access to Spiroketals, Mono-unsaturated Spiroketals, and Furans: Hg(II)-Catalyzed Cyclization of Alkyne Diols and Triols

  摘要：

  Hg(II) salts are identified as highly efficient catalysts for the versatile construction of spiroketals from alkyne diols in aqueous conditions. Monounsaturated spiroketals and furans were accessed with equal ease when propargylic triols (or propargylic diols) were subjected to similar conditions. Even the semiprotected alkyne diols gave the corresponding spiroketals with the same ease in a cascade manner. The reactions are Instant and high yielding at ambient temperatures. Regioselectivity issues are well addressed.

  DOI：

  10.1021/ol201102x
• 作为产物：
  描述：

  Cyclohexylidenmethylphosphonsaeurediaethylester 在 四氧化锇 、 4-methylmorpholine 4-oxide dihydrate 、 碳酸氢钠 作用下， 以 甲醇 、 水 、 丙酮 、 叔丁醇 为溶剂， 反应 50.0h， 生成 1-hydroxycyclohexanecarboxaldehyde
  参考文献：
  名称：

  A Convenient Synthesis of α-Hydroxyaldehydes and Hydroxymethyl Ketones

  摘要：

  DOI：

  10.1055/s-1984-31061

文献信息

• PYRROLIDINONE GLUCOKINASE ACTIVATORS
  申请人：Berthel Steven Joseph

  公开号：US20090264445A1

  公开（公告）日：2009-10-22

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  提供的化合物为公式（I）： 以及药学上可接受的盐，其中取代基如说明书中所披露。这些化合物以及包含它们的药物组合物，可用于治疗代谢性疾病和障碍，例如，2型糖尿病。
• PYRIDAZINONE GLUCOKINASE ACTIVATORS
  申请人：Berthel Steven Joseph

  公开号：US20090264434A1

  公开（公告）日：2009-10-22

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  本文提供的是化合物的公式(I)：以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物，对于治疗代谢性疾病和紊乱（例如2型糖尿病）是有用的。
• Reduction of α-trialkylsiloxy nitriles with diisobutylaluminium hydride (DIBAH): A facile preparation of α-trialkylsiloxy aldehydes and their derivatives
  作者：Masahiko Hayashi、Tomoko Yoshiga、Kanako Nakatani、Kazuyuki Ono、Nobuki Oguni

  DOI：10.1016/s0040-4020(01)86995-7

  日期：1994.2

  could be achieved via the reduction of α-trimethylsiloxy nitriles with diisobutylaluminium hydride (DIBAH) starting from a variety of ketones. The facile synthesis of optically active α-tert-butyldimethylsiloxy aldehydes was attained by combination of asymmetric silylcyanation of aldehydes and DIBAH reduction of optically active α-siloxy nitriles. Furthermore, in the reduction of some α-tert-butyldimethylsiloxy-β

  α-三甲基甲硅烷氧基醛和α-羟基醛的逐步合成可以通过从多种酮开始用氢化二异丁基铝（DIBAH）还原α-三甲基甲硅烷氧基腈来实现。通过醛的不对称甲硅烷基氰化和光学活性α-甲硅烷氧基腈的DIBAH还原相结合，可以轻松合成光学活性的α-叔丁基二甲基甲硅烷氧基醛。此外，在某些反应条件下，在某些α-叔丁基二甲基甲硅烷氧基-β，γ-不饱和腈的还原中，发生了双键的迁移以形成更稳定的α-甲硅烷氧基-α，β-不饱和醛。
• [EN] 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS<br/>[FR] 3 -OXO-3, 9 -DIHYDRO- 1H-CHROMÉNO [2, 3 -C] PYRROLES CONVENANT COMME ACTIVATEURS DE GLUCOKINASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011157682A1

  公开（公告）日：2011-12-22

  The present invention provides novel compounds of formula (I), wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  本发明提供了一种式（I）的新化合物，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗代谢性疾病和紊乱，例如II型糖尿病，具有用处。
• [EN] BIOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSES A ACTIVITE BIOLOGIQUE
  申请人：AMURA THERAPEUTICS LTD

  公开号：WO2004007501A1

  公开（公告）日：2004-01-22

  Compounds of general formula (I) wherein: Z = CR3R4, where R3 and R4 are independently chosen from CO-7-alkyl P1 = CR5R6, P2 = O, CR7R8 or NR9, Y = CR10R11-C(O) or CR10R11-C(S) or CR10R11-S(O) or CR10R11-SO2 (X)o=.CR16R17 (W)n = 0, S, C(O), S(O) or S(O)2-or NR18 (V)m = C(O), C(S), S(O), S(O)2, S(O)2NH, OC(O), NHC(O), NHS(O), NHS(O)2, OC(O)NH, C(O)NH or CR19R20, C=N-C(O)-OR19 or C=N-C(O)-NHR19, U = a stable. 5- to 7-membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their salts, hydrates, solvates, complexes and prodrugs are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, .for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontitis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthritis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.

  通式（I）的化合物中：其中：Z = CR3R4，其中R3和R4分别选择自CO-7-烷基P1 = CR5R6，P2 = O，CR7R8或NR9，Y = CR10R11-C（O）或CR10R11-C（S）或CR10R11-S（O）或CR10R11-SO2（X）o = .CR16R17（W）n = 0，S，C（O），S（O）或S（O）2-或NR18（V）m = C（O），C（S），S（O），S（O）2，S（O）2NH，OC（O），NHC（O），NHS（O），NHS（O）2，OC（O）NH，C（O）NH或CR19R20，C = N-C（O）-OR19或C = N-C（O）-NHR19，U = a stable。5-至7-成员单环或稳定的8-至11-成员双环，其饱和或不饱和，并包括零至四个杂原子及其盐、水合物、溶剂合物、络合物和前药是猫hepsin K和其他半胱氨酸蛋白酶抑制剂的抑制剂，并可用作治疗剂，例如在骨质疏松症、Paget病、牙龈疾病如牙龈炎和牙周炎、恶性高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物还可用于验证治疗靶点化合物。