dimethyl 3,3'-(1,4-phenylene)dipropanoate | 5312-03-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dimethyl 3,3'-(1,4-phenylene)dipropanoate
• 英文别名: 1,4-bis(2-methoxycarbonylethyl)benzene；3,3'-p-Phenylen-di-propionsaeure-dimethylester；Benzol-1,4-dipropionsaeure-dimethylester；3,3'-p-phenylene-di-propionic acid dimethyl ester；Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester；methyl 3-[4-(3-methoxy-3-oxopropyl)phenyl]propanoate
• CAS: 5312-03-8
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: YBPCZDKFGFYLAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl 3,3'-(1,4-phenylene)dipropanoate 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 1,4-二氧六环 、 异丙醇 为溶剂， 80.0~90.0 ℃ 、506.62 kPa 条件下， 反应 45.0h， 生成 1,2,3,5,6,7-六氢-S-并二苯
  参考文献：
  名称：

  Aromatische Spirane, 14. Mitt. Darstellung von 2,2?-Spirobi-(s-hydrindacen) und seinen Vorstufen

  摘要：

  DOI：

  10.1007/bf00809674
• 作为产物：
  描述：

  dimethyl-1,4-phenylenediacrylate 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 dimethyl 3,3'-(1,4-phenylene)dipropanoate
  参考文献：
  名称：

  Synthesis and properties of 4,4,9,9-tetramethyl[12]paracyclophane-5,6,7,8-tetrone

  摘要：

  The synthesis of 4,4,9,9-tetramethyl[12]paracyclophane-5,6,7,8-tetrone (26) has been achieved in a multistep procedure. Compound 26 is the first cyclic tetraketone whose structure has been studied by X-ray analysis. The key intermediates were 4,4,9,9-tetramethyl[12]paracyclophane-6,7-dione (22), 6,7-bis[(trimethylsilyl)oxy]-4,4,9,9-tetramethyl[12]paracyclophane-5,7-diene (24), and two epimeric 5,8-dihydroxy-4,4,9,9-tetramethyl[12]-paracyclophane-6,7-diones 25a and 25b. X-ray analyses have been performed on 24, 25b and 26. That on 24 reveals a dihedral angle of 57-degrees between the two silylenol ether groups. The product analyses and the configurations of 25a and 25b together with the isolation of the bis(epoxide) intermediate 28 allow conclusions to be drawn on the oxidation mechanism of 24 with m-CPBA (Rubottom reaction). The stability of 26 is ascribed to steric factors.

  DOI：

  10.1021/jo00027a045

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。
• Transition-Metal-Catalyzed Chemoselective Methylenation of Dicarbonyl Substrates
  作者：Hélène Lebel、Michaël Davi、Grzegorz T. Stokłosa

  DOI：10.1021/jo800777w

  日期：2008.9.1

  Rhodium- and copper-catalyzed methylenation reactions with trimethylsilyldiazomethane, triphenylphosphine, and 2-propanol were used to react chemoselectively with aldehydes, alkoxymethylketones, and trifluoromethylketones in substrates also containing a less reactive carbonyl group. Terminal alkenes were obtained in high yields, and no protecting group was necessary in the methylenation process.

  与三甲基甲硅烷基重氮甲烷，三苯基膦和2-丙醇的铑和铜催化的亚甲基化反应用于在也含有较低反应性羰基的底物中与醛，烷氧基甲基酮和三氟甲基酮发生化学选择性反应。以高收率获得末端烯烃，并且在亚甲基化过程中不需要保护基。
• 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。
• Kipping, Journal of the Chemical Society, 1888, vol. 53, p. 41
  作者：Kipping

  DOI：——

  日期：——
• GIUMANINI A. G.; DRUSIANI A.; PLESSI L., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 12, 1844-1846
  作者：GIUMANINI A. G.、 DRUSIANI A.、 PLESSI L.

  DOI：——

  日期：——