2-carboethoxy-5-ethyl cyclopentanone | 16429-01-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-carboethoxy-5-ethyl cyclopentanone
• 英文别名: Ethyl 3-ethyl-2-oxo-cyclopentanecarboxylate；3-ethyl-2-oxo-cyclopentanecarboxylic acid ethyl ester；3-Aethyl-2-oxo-cyclopentancarbonsaeure-aethylester；Opt.-inakt. 2-Oxo-3-aethyl-cyclopentan-carbonsaeure-(1)-aethylester；2-ethyl-5-carboethoxycyclopentanone；3-Ethyl-cyclopentanon-(2)-carbonsaeure-ethylester；ethyl 3-ethyl-2-oxocyclopentane-1-carboxylate
• CAS: 16429-01-9
• 化学式: C₁₀H₁₆O₃
• 分子量: 184.235
• InChiKey: WNBAQSYZUDXQDI-UHFFFAOYSA-N

物化性质

• 沸点：
  139-140 °C(Press: 18 Torr)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-carboethoxy-5-ethyl cyclopentanone 在 硫酸 作用下， 生成 2,5-二乙基环戊酮
  参考文献：
  名称：

  Stereochemistry of 1,2-Dimethyl-3-isopropylcyclopentane

  摘要：

  DOI：

  10.1021/jo01347a015
• 作为产物：
  描述：

  ethyl 1-ethyl-2-oxocyclopentanecarboxylate 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-carboethoxy-5-ethyl cyclopentanone
  参考文献：
  名称：

  An Improved Procedure for the Preparation of 2-Alkyl-5-carbethoxycyclopentanone

  摘要：

  DOI：

  10.1021/jo01032a516

文献信息

• Pharmaceutical compositions containing alryl substituted cyclopenta
  申请人：Sharps Associates

  公开号：US03992550A1

  公开（公告）日：1976-11-16

  1,2,3,4-Tetrahydrocyclopenta[c] [1]benzopyrans of the formulae ##SPC1## Wherein R is a lower alkyl group having 1 to 5 carbons, R.sub.1 is hydrogen or a lower alkyl group having 1 to 5 carbons, R.sub.2 is a lower alkyl group and R.sub.3 is an alkyl group having 1 to 20 carbon atoms, a phenyl-lower alkyl group or a cycloalkyl-lower alkyl group. The compounds have anti-hypertensive, antidepressant, analgesic, anticonvulsant, anti-anxiety and tranquilizing activity in animals.

  1,2,3,4-四氢环戊[c][1]苯并吡喃的化学式为##SPC1##其中R是具有1至5个碳的较低烷基基团，R.sub.1是氢或具有1至5个碳的较低烷基基团，R.sub.2是较低烷基基团，R.sub.3是具有1至20个碳原子的烷基基团，苯基-较低烷基基团或环烷基-较低烷基基团。这些化合物在动物中具有抗高血压、抗抑郁、镇痛、抗抽搐、抗焦虑和镇静活性。
• Heterocyclic esters of benzopyrans
  申请人：Sharps Associates

  公开号：US03941782A1

  公开（公告）日：1976-03-02

  This invention relates to novel esters of benzopyrans represented by the formulae ##SPC1## Wherein R and R' are hydrogen or C.sub.1 -C.sub.6 alkyl and when alkyl are on the same or different carbons; R.sub.1 is C.sub.1 -C.sub.6 alkyl; R.sub.2 is C.sub.1 -C.sub.20 alkyl, lowercycloalkyloweralkyl or lowercycloalkyl; n is an integer from 3 to 7, and particularly 3 to 5; Y is a straight or branched chain C.sub.1 -C.sub.8 alkylene; and R.sub.3 is ##EQU1## WHEREIN A IS AN INTEGER FROM 1 TO 4, B IS AN INTEGER FROM 1 TO 4, X is O,S, CH.sub.2 or NR.sub.4 and R.sub.4 is hydrogen C.sub.1 -C.sub.6 alkyl, and R.sub.5 is hydrogen or C.sub.1 -C.sub.6 alkyl; and the acid addition salts thereof. The compounds exhibit analgesic and central nervous system activity.

  本发明涉及一种新型苯并吡喃酸酯，其化学式为：##SPC1## 其中，R和R'为氢或C.sub.1-C.sub.6烷基，当烷基在同一或不同碳上时；R.sub.1为C.sub.1-C.sub.6烷基；R.sub.2为C.sub.1-C.sub.20烷基，较低的环烷基较低的烷基或较低的环烷基；n为3至7的整数，特别是3至5；Y为直链或支链C.sub.1-C.sub.8烷基；R.sub.3为##EQU1## 其中，A为1至4的整数，B为1至4的整数，X为O、S、CH.sub.2或NR.sub.4，R.sub.4为氢C.sub.1-C.sub.6烷基，R.sub.5为氢或C.sub.1-C.sub.6烷基；以及其酸盐加合物。这些化合物表现出镇痛和中枢神经系统活性。
• Alkyl substituted-4-oxo-cyclopenta benzopyrans
  申请人：Sharps Associates

  公开号：US04007207A1

  公开（公告）日：1977-02-08

  1,2,3,4-Tetrahydrocyclopenta[c][1]benzopyrans of the formulae ##STR1## wherein R is a lower alkyl group having 1 to 5 carbons, R.sub.1 is hydrogen or a lower alkyl group having 1 to 5 carbons, R.sub.2 is a lower alkyl group and R.sub.3 is an alkyl group having 1 to 20 carbon atoms, a phenyl-lower alkyl group or a cycloalkyl-lower alkyl group. The compounds have anti-hypertensive, antidepressant, analgesic, anticonvulsant, anti-anxiety, sedative-hypnotic and tranquilizing activity in animals.

  式为##STR1##的1,2,3,4-四氢环戊[c][1]苯并吡喃化合物，其中R是具有1到5个碳的低级烷基，R.sub.1是氢或具有1到5个碳的低级烷基，R.sub.2是低级烷基，R.sub.3是具有1到20个碳原子的烷基，苯基-低级烷基或环烷基-低级烷基。这些化合物在动物中具有抗高血压、抗抑郁、镇痛、抗癫痫、抗焦虑、镇静催眠和镇定活性。
• 179. Constitution of conessine. Part I
  作者：Robert D. Haworth、James McKenna、Nazar Singh

  DOI：10.1039/jr9490000831

  日期：——
• An Improved Procedure for the Preparation of 2-Alkyl-5-carbethoxycyclopentanone
  作者：Keiiti Sisido、Kiitirô Utimoto、Tyûzô Isida

  DOI：10.1021/jo01032a516

  日期：1964.9