Methyl (3-oxocycloheptyl)acetate | 57337-71-0

• 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
• 英文名称: Methyl (3-oxocycloheptyl)acetate
• 英文别名: Methyl 2-(3-oxocycloheptyl)acetate
• CAS: 57337-71-0
• 化学式: C₁₀H₁₆O₃
• 分子量: 184.235
• InChiKey: DYXAYNPSLVAULR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 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：

  2,4-二氟苯肼 、 Methyl (3-oxocycloheptyl)acetate 生成 methyl 2-(2,4-difluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-7-yl)acetate
  参考文献：
  名称：

  GILLARD, JOHN W.;GUINDON, YVAN;MORTON, HOWARD E.;GIRARD, YVES

  摘要：

  DOI：
• 作为产物：
  描述：

  1-Trimethylammonio-bicyclo<4.2.1>nonan-hydroxid 生成 Methyl (3-oxocycloheptyl)acetate
  参考文献：
  名称：

  Bredt's rule. II. Synthesis of bicyclo[4.2.1]non-1-ene and bicyclo[4.2.1]non-1(8)-ene

  摘要：

  DOI：

  10.1021/ja01038a084

文献信息

• Cyclohept b indolealkanoic acids
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0304156A1

  公开（公告）日：1989-02-22

  Cyclohept[b]indolealkanoic acids and acid derivatives are disclosed. The compounds act as prostaglandin and thromboxane antagonists and are useful in treating asthma, diarrhea, hypertension, angina, platelet aggregation, cerebral spasm, premature labor, spontaneous abortion, dysmenorrhea and nephrotoxicity caused by cyclosporin A and as cytoprotective agents.

  本发明揭示了环庚[b]吲哚烷基脂肪酸及其衍生物。这些化合物作为前列腺素和血栓素拮抗剂，并可用于治疗哮喘、腹泻、高血压、心绞痛、血小板聚集、脑痉挛、早产、自然流产、痛经和环孢霉素A引起的肾毒性，并作为细胞保护剂。
• Asymmetric Michael Addition Reaction of Phosphorus-Stabilized Allyl Anions with Cyclic Enones
  作者：Scott E. Denmark、Jung-Ho Kim

  DOI：10.1021/jo00128a028

  日期：1995.11

  The asymmetric Michael addition reaction of chirally modified P-allyl anions derived from enantiomerically enriched 2-allyl-1,3,2-oxazaphosphorinane 2-oxides has been investigated with cyclic enones. The racemic 1,3,2-oxazaphosphorinane 2-oxide 3 has been shown to be extremely diastereoselective in the Michael addition to 5-, 6-, and 7-ring enones. With the enantiomerically enriched 2-allyl-1,3,2-oxazaphosphorinane 2-oxides, high regio- and diastereoselectivities (88-90% diastereomeric excess) have been achieved in the Michael addition reaction of one of the diastereomers (cis series). The Michael reaction of the anions derived from the trans series were not diastereoselective (similar to 10% diastereomeric excess). The origin of the addition selectivity can be rationalized by (1) consideration of the structure and conformational preferences of the allyl anion (parallel conformation, s-trans, no lithium contact), (2) conformational analysis of the 1,3,2-oxazaphosphorinane 2-oxide ring (chair, equatorial allyl group) and (3) assumption of a 10-membered ring transition state structure with lithium coordination of the enone.
• GILLARD, JOHN W.;GUINDON, YVAN;MORTON, HOWARD E.;GIRARD, YVES
  作者：GILLARD, JOHN W.、GUINDON, YVAN、MORTON, HOWARD E.、GIRARD, YVES

  DOI：——

  日期：——
• WINKLER, J. D.;HEY, J. F.;HANNON, F. J.;WILLIARD, P. G., HETEROCYCLES, 25,(1987) NPEC. ISSUE, 55-60
  作者：WINKLER, J. D.、HEY, J. F.、HANNON, F. J.、WILLIARD, P. G.

  DOI：——

  日期：——
• US4775680A
  申请人：——

  公开号：US4775680A

  公开（公告）日：1988-10-04