6-isopropyltetrahydro-2H-pyran-2-one | 28525-62-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 6-isopropyltetrahydro-2H-pyran-2-one
• 英文别名: 5-Hydroxy-6-methyl-heptansaeure-lacton；δ-Isopropyl-δ-valerolacton；6-isopropyl-tetrahydro-pyran-2-one；6-Isopropyl-tetrahydro-pyran-2-on；Tetrahydro-6-isopropyl-2H-pyran-2-one；6-propan-2-yloxan-2-one
• CAS: 28525-62-4
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: RLTHFZWNJMIBRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  6-isopropyltetrahydro-2H-pyran-2-one 在 咪唑 、 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 双(乙腈)氯化钯(II) 、 四丁基氟化铵 、 异丙基氯化镁 、 magnesium 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.5h， 生成 2-isopropyl-8-vinyl-1,7-dioxaspiro[5.5]undecane
  参考文献：
  名称：

  PdII催化的酮基烯丙基二元醇的螺环化

  摘要：

  报道了一种由简单的酮基烯丙基二醇形成螺环酮的高产立体选择性方法。这些脱水环化反应通过在0°C下于THF中使用催化[PdCl 2（MeCN）2 ]进行，仅需温和的条件即可在短暂的水反应时间后，以高收率生产乙烯基取代的螺酮金属。使用这种方法，亲核试剂中嵌入的立体化学信息会“向下传递”，并有效地在异头碳原子和新形成的烯丙基立体中心设置立体化学。

  DOI：

  10.1002/chem.201301723
• 作为产物：
  描述：

  2-(3-氯丙基)-1,3-二噁戊环 生成 6-isopropyltetrahydro-2H-pyran-2-one
  参考文献：
  名称：

  RAMON, DIEGO J.;YUS, MIGUEL, TETRAHEDRON LETT., 31,(1990) N6, C. 3767-3770

  摘要：

  DOI：

文献信息

• FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE
  申请人：ESPERVITA THERAPEUTICS, INC.

  公开号：US20210024447A1

  公开（公告）日：2021-01-28

  This invention provides compounds of Formulae (IA), (IB), (IC), (ID), (IE), (IF), (IG), (IH), (IJ), (IK), (IL), (II), (III), (IIIA), and (IIIB); pharmaceutically acceptable salts and solvates thereof; and compositions thereof. This invention further provides methods for treating a disease, including but not limited to, liver disease or an abnormal liver condition; cancer (such as hepatocellular carcinoma or cholangiocarcinoma); a malignant or benign tumor of the lung, liver, gall bladder, bile duct or digestive tract; an intra- or extra-hepatic bile duct disease; a disorder of lipoprotein; a lipid-and-metabolic disorder; cirrhosis; fibrosis; a disorder of glucose metabolism; a cardiovascular or related vascular disorder; a disease resulting from steatosis, fibrosis, or cirrhosis; a disease associated with increased inflammation (such as hepatic inflammation or pulmonary inflammation); hepatocyte ballooning; a peroxisome proliferator activated receptor-associated disorder; an ATP citrate lyase disorder; an acetyl-coenzyme A carboxylase disorder; obesity; pancreatitis; or renal disease.

  这项发明提供了Formulae（IA）、（IB）、（IC）、（ID）、（IE）、（IF）、（IG）、（IH）、（IJ）、（IK）、（IL）、（II）、（III）、（IIIA）和（IIIB）的化合物；这些化合物的药学上可接受的盐和溶剂；以及它们的组合物。这项发明还提供了治疗疾病的方法，包括但不限于肝病或异常肝脏状况；癌症（如肝细胞癌或胆管癌）；肺、肝、胆囊、胆管或消化道的恶性或良性肿瘤；肝内或肝外胆管疾病；脂蛋白紊乱；脂质和代谢紊乱；肝硬化；纤维化；葡萄糖代谢紊乱；心血管或相关血管紊乱；由脂肪变性、纤维化或肝硬化引起的疾病；与炎症增加有关的疾病（如肝炎或肺炎炎症）；肝细胞球形变；过氧化物酶体增殖子激活受体相关的疾病；ATP柠檬酸裂合酶疾病；乙酰辅酶A羧化酶疾病；肥胖；胰腺炎；或肾脏疾病。
• Phenoxypropylamine compounds
  申请人：——

  公开号：US20040138227A1

  公开（公告）日：2004-07-15

  The present invention relates to a phenoxypropylamine compound of the formula (I) 1 wherein each symbol is as defined in the specification, an optically active compound thereof or a pharmaceutically acceptable salt thereof and hydrates thereof, which simultaneously show selective affinity for and antagonistic activity against 5-HT 1A receptor, as well as 5-HT reuptake inhibitory activity, and can be used as antidepressants quick in expressing an anti-depressive effect.

  本发明涉及一种公式（I）的苯氧丙胺化合物，其中每个符号如规范中定义的，其光学活性化合物或药学上可接受的盐和水合物，同时表现出对5-HT1A受体的选择性亲和力和拮抗活性，以及5-HT再摄取抑制活性，并可用作快速表达抗抑郁效应的抗抑郁药物。
• RAF INHIBITOR COMPOUNDS AND METHODS
  申请人：Laird Ellen

  公开号：US20090176809A1

  公开（公告）日：2009-07-09

  Pyrazolyl compounds of Formulas Ia and Ib are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using pyrazolyl compounds for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  式Ia和Ib的吡唑基化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用吡唑基化合物进行哺乳动物细胞中的体外、体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and their use for the prevention or treatment of disease
  申请人：ESPERVITA THERAPEUTICS, INC.

  公开号：US11084773B1

  公开（公告）日：2021-08-10

  This invention provides compounds of Formulae (IA), (IB), (IC), (ID), (IE), (IF), (IG), (IH), (IJ), (IK), (IL), (II), (III), (IIIA), and (IIIB); pharmaceutically acceptable salts and solvates thereof; and compositions thereof. This invention further provides methods for treating a disease, including but not limited to, liver disease or an abnormal liver condition; cancer (such as hepatocellular carcinoma or cholangiocarcinoma); a malignant or benign tumor of the lung, liver, gall bladder, bile duct or digestive tract; an intra- or extra-hepatic bile duct disease; a disorder of lipoprotein; a lipid-and-metabolic disorder; cirrhosis; fibrosis; a disorder of glucose metabolism; a cardiovascular or related vascular disorder; a disease resulting from steatosis, fibrosis, or cirrhosis; a disease associated with increased inflammation (such as hepatic inflammation or pulmonary inflammation); hepatocyte ballooning; a peroxisome proliferator activated receptor-associated disorder; an ATP citrate lyase disorder; an acetyl-coenzyme A carboxylase disorder; obesity; pancreatitis; or renal disease.

  本发明提供了式(IA)、(IB)、(IC)、(ID)、(IE)、(IF)、(IG)、(IH)、(IJ)、(IK)、(IL)、(II)、(III)、(IIIA)和(IIIB)的化合物；其药学上可接受的盐和溶液；及其组合物。本发明进一步提供了治疗疾病的方法，包括但不限于肝脏疾病或肝脏异常状况；癌症（如肝细胞癌或胆管癌）；肺、肝、胆囊、胆管或消化道的恶性或良性肿瘤；肝内或肝外胆管疾病；脂蛋白紊乱；脂质和代谢紊乱；肝硬化；纤维化；糖代谢紊乱；心血管或相关血管疾病；脂肪变性、纤维化或肝硬化导致的疾病；与炎症（如肝脏炎症或肺部炎症）加重相关的疾病；肝细胞气球化；过氧化物酶体增殖激活受体相关疾病；ATP柠檬酸裂解酶紊乱；乙酰辅酶A羧化酶紊乱；肥胖症；胰腺炎；或肾脏疾病。
• Direct synthesis of δ-lactones from 2-(3-lithiopropyl)-1,3-dioxolane and carbonyl compounds
  作者：Diego J. Ramón、Miguel Yus

  DOI：10.1016/s0040-4039(00)97466-5

  日期：——