乙基环庚烷羧酸酯 | 32777-26-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 乙基环庚烷羧酸酯
• 英文名称: ethyl cycloheptylcarboxylate
• 英文别名: ethyl cycloheptanecarboxylate；cycloheptanecarboxylic acid ethyl ester；Cycloheptancarbonsaeure-aethylester
• CAS: 32777-26-7
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: ADVNPUHITOJNRW-UHFFFAOYSA-N

物化性质

• 沸点：
  259.9°C (rough estimate)
• 密度：
  0.9515

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916209090

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  环庚甲酸	cycloheptanoic acid	1460-16-8	C8H14O2	142.198

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  环庚甲酸	cycloheptanoic acid	1460-16-8	C8H14O2	142.198
  ——	ethyl 1-hydroxycycloheptanecarboxylate	41248-25-3	C10H18O3	186.251

反应信息

• 作为反应物：
  描述：

  乙基环庚烷羧酸酯 生成 环庚甲酸
  参考文献：
  名称：

  Gol'mow, Zhurnal Obshchei Khimii, 1953, vol. 23, p. 991; engl. Ausg. S. 1037

  摘要：

  DOI：
• 作为产物：
  描述：

  环庚甲酸 在 氯化亚砜 作用下， 反应 1.5h， 生成 乙基环庚烷羧酸酯
  参考文献：
  名称：

  Aliyu, Adetutu Oluwakemi, Pakistan Journal of Scientific and Industrial Research, 2012, vol. 55, # 1, p. 27 - 35

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES<br/>[FR] DERIVES DE 1H-PYRIDINE-2-ONE SUBSTITUEE
  申请人：C & C RES LAB

  公开号：WO2004050624A1

  公开（公告）日：2004-06-17

  The present invention relates to substituted 1H-pyridine-2-one derivatives of formula (1) and pharmaceutically acceptable salts thereof, which are useful for the treatment of chronic obstructive pulmonary disease, asthma, chronic bronchitis, psoriasis, ulcerative colitis, Crohn's disease (local ileitis), arteriosclerosis, rheumatoid arthritis, osteoporosis, bone arthritis, depression, memory loss, inflammation mediated by chronic necrosis and the others mediated by PDE4: (I)

  本发明涉及式（1）的取代1H-吡啶-2-酮衍生物及其药学上可接受的盐，用于治疗慢性阻塞性肺疾病、哮喘、慢性支气管炎、牛皮癣、溃疡性结肠炎、克罗恩病（局部回肠炎）、动脉硬化、类风湿性关节炎、骨质疏松症、骨关节炎、抑郁症、记忆力丧失、由慢性坏死介导的炎症以及其他由PDE4介导的炎症：（I）
• [EN] PYRROLOPYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRROLOPYRIMIDINE
  申请人：VERNALIS R & D LTD

  公开号：WO2009037467A1

  公开（公告）日：2009-03-26

  Compounds of formula (I) are A2B receptor antagonists: wherein Ri is optionally substituted aryl or an optionally substituted monocyclic heteroaryl group having 5 or 6 ring atoms; R2 and R3 are independently selected from hydrogen, or optionally substituted C1-C6 alkyl, C1-C6 alkoxy-(C1- C6)-alkyl, C3-C8 cycloalkyl, aryl, heteroaryl, aryl-(C1-C6)-alkyl, or heteroaryl-(C1- C6)-alkyl; R4 and R5 are independently selected from hydrogen, optionally substituted C1-C6 alkyl, optionally substituted aryl, aryl-(C1-C6)-alkyl optionally substituted in the ring part thereof, -NHR7-N(-R8)-R9, -NH-(C=O)-R10, -(C=O)- NH-R11, -(C=O)-O-R12, or halo; R6 is hydrogen, C1-C6 alkyl, aryl-(C1-C6)-alkyl, - (C=O)-NH-R13, -(C=O)-R14, aryl, heteroaryl, hydroxy-(C1-C6)-alkyl, or C3-C8 cycloalkyl-alkyl; and R7, R8, R9, R10, R11, R12, R13 and R14 are independently selected from C1-C6 alkyl, aryl, aryl-(C1-C6)-alkyl and heteroaryl.

  化合物的化学式（I）是A2B受体拮抗剂：其中Ri是可选择的取代芳基或具有5个或6个环原子的可选择的取代的单环杂芳基基团；R2和R3分别选自氢，或可选择的取代的C1-C6烷基，C1-C6烷氧基-(C1-C6)-烷基，C3-C8环烷基，芳基，杂芳基，芳基-(C1-C6)-烷基，或杂芳基-(C1-C6)-烷基；R4和R5分别选自氢，可选择的取代的C1-C6烷基，可选择的取代的芳基，在其环部分中可选择的取代的芳基-(C1-C6)-烷基，-NHR7-N(-R8)-R9，-NH-(C=O)-R10，-(C=O)-NH-R11，-(C=O)-O-R12，或卤素；R6是氢，C1-C6烷基，芳基-(C1-C6)-烷基，-(C=O)-NH-R13，-(C=O)-R14，芳基，杂芳基，羟基-(C1-C6)-烷基，或C3-C8环烷基-烷基；而R7、R8、R9、R10、R11、R12、R13和R14分别选自C1-C6烷基，芳基，芳基-(C1-C6)-烷基和杂芳基。
• Formation of quaternary centres via iron allyl cations. Rapid entry into spirocyclic ring systems
  作者：M. Anne Charlton、James R. Green

  DOI：10.1139/v97-116

  日期：1997.7.1

  Ester-substituted allyltetracarbonyliron cations react with cycloalkylidene-type silyl enol ethers, silyl ketene acetals, and β-keto-esters to give 1,6-dicarbonyl compounds containing a newly formed quaternary centre. Selected condensation products are converted by enolate chemistry into spirocyclic [4.4], [4.5], and [4.6] systems. Acyloin and other reductive cyclization reactions are employed to convert

  酯取代的烯丙基四羰基亚铁阳离子与亚环烷基型甲硅烷基烯醇醚、甲硅烷基乙烯酮缩醛和 β-酮酯反应，生成含有新形成的季铵盐中心的 1,6-二羰基化合物。选定的缩合产物通过烯醇化学转化为螺环 [4.4]、[4.5] 和 [4.6] 系统。Acyloin 和其他还原性环化反应用于将缩合产物转化为螺环 [4.5]、[5.5] 和 [5.6] 系统。关键词：烯丙基配合物，umpolung 合成，1,6-二羰基化合物，螺环合成。
• Favorski Type Rearrangement in the Lead Tetraacetate Oxidation of Cycloalkanones
  作者：Felix Mathew、Bekington Myrboh

  DOI：10.1080/00397919608003716

  日期：1996.3

  Abstract The cycloalkanones (1a-lf) have been converted into their corresponding cycloalkane carboxylates (2a-2f) by a lead (IV) acetate promoted rearrangement in presence of perchloric acid in triethyl orthoformate.

  摘要 环烷酮 (1a-lf) 已通过乙酸铅 (IV) 在高氯酸存在下在原甲酸三乙酯中促进重排转化为其相应的环烷烃羧酸盐 (2a-2f)。
• Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0587311A1

  公开（公告）日：1994-03-16

  Compounds of formula (I) : [wherein: R¹ is hydrogen, alkyl, aralkyl, -CORa, -CORb, -CSRa, -CSRb, -SO₂Rb, -CONHRb, -CSNHRb, -CONRbRb or -CSNRbRb; R² is hydrogen or alkyl; R³ is hydrogen, alkylidene, substituted alkyl, or Rb; R⁴ is optionally substituted alkyl, cycloalkyl, or aryl; R⁵ is RbO-, RbRbN-, RbHN-, aralkyloxycarbonyloxy or aralkyloxycarbonylamino, or R⁵ is -(CH₂)p-D-(CH₂)r- [where D is a single bond, carbonyl, oxygen, sulphur, -NH-, -(CH₂=CH₂)- or -NHCO-; and p and r are each 0 or an integer from 1 to 5]; A is -(CH₂)m-B-(CH₂)n- [where B is a single bond, carbonyl, oxygen, sulphur, -NH-, -(CH₂=CH₂)- or -NHCO-; and m and n are each 0 or an integer from 1 to 5]; Ra is alkoxy, aralkyloxy, aryloxy or alkoxycarbonyl; Rb is optionally substituted alkyl, cycloalkyl, heterocyclic, aryl or arylalkenyl]; and pharmaceutically acceptable salts and esters thereof and pro-drugs therefor, have the ability to inhibit the activity of HIV protease and may thus be used for the treatment and prophylaxis of AIDS.

  化合物的化学式为(I)：[其中：R¹为氢，烷基，芳基烷基，-CORa，-CORb，-CSRa，-CSRb，-SO₂Rb，-CONHRb，-CSNHRb，-CONRbRb或-CSNRbRb；R²为氢或烷基；R³为氢，烷基亚甲基，取代烷基或Rb；R⁴为可选取代的烷基，环烷基或芳基；R⁵为RbO-，RbRbN-，RbHN-，芳基烷氧羰氧基氧或芳基烷氧羰氨基，或R⁵为-(CH₂)p-D-(CH₂)r- [其中D为单键，酰基，氧，硫，-NH-，-(CH₂=CH₂)-或-NHCO-；p和r分别为0或1到5的整数]；A为-(CH₂)m-B-(CH₂)n- [其中B为单键，酰基，氧，硫，-NH-，-(CH₂=CH₂)-或-NHCO-；m和n分别为0或1到5的整数]；Ra为烷氧基，芳基烷氧基，芳氧基或烷氧羰基；Rb为可选取代的烷基，环烷基，杂环，芳基或芳基烷烯基]；以及其药学上可接受的盐和酯以及其前药，具有抑制HIV蛋白酶活性的能力，因此可用于治疗和预防艾滋病。