3-乙基环丁烷羧酸 | 66016-16-8

• 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: 3-乙基环丁烷羧酸
• 英文名称: 3-ethylcyclobutane carboxylic acid
• 英文别名: 3-n-ethylcyclobutane-1-carboxylic acid；3-ethylcyclobutanecarboxylic acid；3-ethylcyclobutylcarboxylic acid；3-Ethyl-cyclobutan-1-carbonsaeure；3-Ethylcyclobutan-1-carbonsaeure；3-Ethyl-cyclobutancarbonsaeure；3-ethylcyclobutane-1-carboxylic acid
• CAS: 66016-16-8
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: KHJZSHCMTBYQFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  2
• 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

安全信息

• 海关编码：
  2916209090

反应信息

• 作为反应物：
  描述：

  3-乙基环丁烷羧酸 在 吡啶 、 盐酸 、 氢氧化钾 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 乙醚 、 二甲基亚砜 为溶剂， 反应 29.5h， 生成
  参考文献：
  名称：

  Chan, L. K. M.; Gemmell, P. A.; Gray, G. W., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 168, p. 229 - 246

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙基-1,3-丙二醇 在 氢氧化钾 、 sodium 作用下， 以 吡啶 、 xylene 为溶剂， 反应 40.0h， 生成 3-乙基环丁烷羧酸
  参考文献：
  名称：

  Long-acting contraceptive agents: Cyclopropyl and cyclobutyl esters of norethisterone

  摘要：

  Several esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxyestr-4-en-3-one) with carboxylic acids containing a cyclopropyl or cyclobutyl ring have been synthesized and the stereochemistries of the side-chains determined.

  DOI：

  10.1016/0039-128x(83)90100-9

文献信息

• Preparation of 15-deoxy-16-hydroxyprostaglandins
  申请人：Miles Laboratories, Inc.

  公开号：US04132738A1

  公开（公告）日：1979-01-02

  Analogues of PGE.sub.1 having the structural formula, ##STR1## in which J is R-hydroxymethylene or S-hydroxymethylene; R.sub.1 is hydrogen; R.sub.2 is hydrogen or together with R.sub.4 is a methylene chain of 2 to 3 carbon atoms such that a cycloalkyl of 5 to 6 carbon atoms inclusive is formed; R.sub.3 is hydrogen or methyl, or together with R.sub.4 is a methylene or a lower alkylated methylene chain of 2 to 5 carbon atoms such that a cycloalkyl or a lower alkylated cycloalkyl of 4 to 7 carbon atoms inclusive is formed, or together with R.sub.4 is bicycloalkyl or bicycloalkenyl moiety having the formula: ##STR2## SUCH THAT A BICYCLOALKYL OR BICYCLOALKENYL COMPOUND IS FORMED, WHEREIN M AND N ARE INTEGERS HAVING A VALUE FROM 0 TO 3, P IS AN INTEGER HAVING A VALUE FROM 0 TO 4 AND Q IS AN INTEGER HAVING A VALUE OF FROM 1 TO 4 AND WHEREIN THE DOUBLE BOND OF SUCH BICYCLOALKENYL IS IN THE M, N, P, OR Q BRIDGE; R.sub.4 is hydrogen or methyl or together with R.sub.2 or R.sub.3 forms a cycloalkyl or bicycloalkyl or bicycloalkenyl as defined above, or together with R.sub.5 is a methylene chain of 3 to 5 carbon atoms such that a cycloalkyl of 4 to 6 carbon atoms inclusive is formed; R.sub.5 is selected from the group consisting of hydrogen, straight-chain alkyl having from 1 to 3 carbon atoms or together with R.sub.4 forms a cycloalkyl as defined above; and R.sub.6 is hydrogen or straight-chain alkyl having from 1 to 3 carbon atoms are disclosed. Pge.sub.1 ester analogues of the above formula, limited to the structures wherein two of R.sub.2, R.sub.3 R.sub.4 and R.sub.5 form a cycloalkyl, lower alkylated cycloalkyl, bicycloalkyl or bicycloalkenyl are also disclosed. The prostaglandin analogues selectively produce bronchodilation and decrease gastric secretion in vivo. Methods of preparing the analogues and starting materials required in the synthesis of the analogues are also disclosed.

  具有结构式##STR1##的PGE.sub.1的类似物，其中J是R-羟甲亚甲基或S-羟甲亚甲基；R.sub.1是氢；R.sub.2是氢或与R.sub.4一起是2到3个碳原子的亚甲基链，形成包括5到6个碳原子的环烷基；R.sub.3是氢或甲基，或与R.sub.4一起是2到5个碳原子的亚甲基或低烷基化亚甲基链，形成包括4到7个碳原子的环烷基或低烷基化环烷基，或与R.sub.4一起是具有式子的双环烷基或双环烯基基团：##STR2##形成双环烷基或双环烯基化合物，其中M和N是具有值从0到3的整数，P是具有值从0到4的整数，Q是具有值从1到4的整数，且此类双环烯基的双键位于M、N、P或Q桥上；R.sub.4是氢或甲基，或与R.sub.2或R.sub.3一起形成如上定义的环烷基或双环烷基或双环烯基，或与R.sub.5一起是3到5个碳原子的亚甲基链，形成包括4到6个碳原子的环烷基；R.sub.5选自由氢、具有1到3个碳原子的直链烷基或与R.sub.4一起形成如上定义的环烷基；R.sub.6是氢或具有1到3个碳原子的直链烷基。上述结构的Pge.sub.1酯类似物，限于其中两个R.sub.2、R.sub.3、R.sub.4和R.sub.5形成环烷基、低烷基化环烷基、双环烷基或双环烯基的结构也被披露。这些前列腺素类似物在体内选择性地产生支气管扩张并减少胃分泌。还披露了制备这些类似物以及合成这些类似物所需的起始物料的方法。
• 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。
• FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：US20170174672A1

  公开（公告）日：2017-06-22

  The invention relates to (hetero)cyclic compounds as S1P modulators, pharmaceutical compositions comprising such compounds, and uses thereof in the treatment, alleviation or prevention of diseases or disorders mediated by an S1P receptor.

  这项发明涉及(S1P)调节剂的(杂)环化合物，包括这种化合物的药物组合物，以及在通过S1P受体介导的疾病或紊乱的治疗、缓解或预防中的用途。
• Cyclobutyl substituted derivatives of prostaglandin analogs
  申请人：Miles Laboratories, Inc.

  公开号：US04220795A1

  公开（公告）日：1980-09-02

  Novel C15 cyclobutyl analogs or derivatives of prostaglandins of the E-, A- and F-classes are useful modifiers of smooth muscle activity. The compounds have valuable pharmacological properties such as platelet antiaggregating agents, gastric antisecretory agents and brochodilating agents.

  新型C15环丁基类前列腺素的衍生物或类似物在调节平滑肌活动方面具有用途。这些化合物具有宝贵的药理特性，如抗血小板聚集剂、胃抗分泌剂和支气管扩张剂。
• 15-Deoxy-16-hydroxy prostaglandins for producing bronchodilation
  申请人：Miles Laboratories, Inc.

  公开号：US04415592A1

  公开（公告）日：1983-11-15

  Analogues of PGE.sub.1 having the structural formula, ##STR1## in which J is R-hydroxymethylene or S-hydroxymethylene; R.sub.1 is hydrogen; R.sub.2 is hydrogen or together with R.sub.4 is a methylene chain of 2 to 3 carbon atoms such that a cycloalkyl of 5 to 6 carbon atoms inclusive is formed; R.sub.3 is hydrogen or methyl, or together with R.sub.4 is a methylene or a lower alkylated methylene chain of 2 to 5 carbon atoms such that a cycloalkyl or a lower alkylated cycloalkyl of 4 to 7 carbon atoms inclusive is formed, or together with R.sub.4 is bicycloalkyl or bicycloalkenyl moiety having the formula: ##STR2## such that a bicycloalkyl or bicycloalkenyl compound is formed, wherein m and n are integers having a value from 0 to 3, p is an integer having a value from 0 to 4 and q is an integer having a value of from 1 to 4 and wherein the double bond of such bicycloalkenyl is in the m, n, p, or q bridge; R.sub.4 is hydrogen or methyl or together with R.sub.2 or R.sub.3 forms a cycloalkyl or bicycloalkyl or bicycloalkenyl as defined above, or together with R.sub.5 is a methylene chain of 3 to 5 carbon atoms such that a cycloalkyl of 4 to 6 carbon atoms inclusive is formed; R.sub.5 is selected from the group consisting of hydrogen, straight-chain alkyl having from 1 to 3 carbon atoms or together with R.sub.4 forms a cycloalkyl as defined above; and R.sub.6 is hydrogen or straight-chain alkyl having from 1 to 3 carbon atoms are disclosed. PGE.sub.1 ester analogues of the above formula, limited to the structures wherein two of R.sub.2, R.sub.3, R.sub.4 and R.sub.5 form a cycloalkyl, lower alkylated cycloalkyl, bicycloalkyl or bicycloalkenyl are also disclosed. The prostaglandin analogues selectively produce bronchodilation and decrease gastric secretion in vivo. Methods of preparing the analogues and starting materials required in the synthesis of the analogues are also disclosed.

  具有结构式##STR1##的PGE.sub.1类似物，其中J为R-羟甲基或S-羟甲基；R.sub.1为氢；R.sub.2为氢或与R.sub.4一起形成2至3个碳原子的亚甲基链，形成5至6个碳原子的环烷基；R.sub.3为氢或甲基，或与R.sub.4一起形成2至5个碳原子的亚甲基或较低烷基化亚甲基链，形成4至7个碳原子的环烷基或较低烷基化环烷基，或与R.sub.4一起形成有公式的双环烷基或双环烯基基团：##STR2##形成双环烷基或双环烯基化合物，其中m和n是整数，值为0至3，p是整数，值为0至4，q是整数，值为1至4，其中此类双环烯基的双键在m、n、p或q桥上；R.sub.4为氢或甲基，或与R.sub.2或R.sub.3一起形成上述定义的环烷基、双环烷基或双环烯基，或与R.sub.5一起形成3至5个碳原子的亚甲基链，形成4至6个碳原子的环烷基；R.sub.5选自由由1至3个碳原子的直链烷基或与R.sub.4形成上述定义的环烷基的群；R.sub.6为氢或由1至3个碳原子的直链烷基。还公开了上述结构中仅限于R.sub.2、R.sub.3、R.sub.4和R.sub.5中的两个形成环烷基、较低烷基化环烷基、双环烷基或双环烯基的PGE.sub.1酯类似物。这些前列腺素类似物在体内具有选择性地产生支气管扩张和减少胃分泌的作用。还公开了制备这些类似物和合成这些类似物所需的起始材料的方法。