(S)-3-Acetylcyclohexan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-3-Acetylcyclohexan-1-one
• 英文别名: (3S)-3-acetylcyclohexan-1-one
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: XRRIYGBWEZZVAQ-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 gold(III) bromide 、 水 、 sodium hydroxide 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 (S)-3-Acetylcyclohexan-1-one 、 3-Acetylcyclohexanon
  参考文献：
  名称：

  AuBr 3催化的硫肟肟到羰基的转化：从手性脂肪族硝基化合物到酮，没有消旋作用

  摘要：

  发现了在室温下在中性条件下发生的NO 2 -CO转化（Nef反应）的新变体。在将仲硝基烷烃转化为苯硫基酮亚胺之后，这些硫肟在pH-7的THF-H 2 O中通过添加AuBr 3进行原位定量水解（但不与其他MX n！一起水解）。由不对称的硝基-迈克尔和硝基-羟醛反应产生的加合物分别提供1,4-二酮和α-烷氧基酮，并完全保留了CHNO 2 /C═N-SPh/C═O的立体中心α的构型组。

  DOI：

  10.1021/ol9017722

文献信息

• PDD AND BPD COMPOUNDS
  申请人：FEMTOGENIX LIMITED

  公开号：US20180162855A1

  公开（公告）日：2018-06-14

  The invention relates to pyrridinobenzodiazepines (PDDs) comprising three fused 6-7-6-membered rings and to benzopyrridodiazecines (BPDs) comprising three fused 6-8-6-membered rings and, in particular, to PDD or BPD dimers linked together or PDD and BPD monomers linked to aromatic groups, and pharmaceutically acceptable salts thereof, which are useful as medicaments, such as anti-proliferative agents. PDDs and BPDs may be represented by formula (I): and salts or solvates thereof, wherein R 2 , R 4 -R 6 and R 8 are independently selected substituent groups; and either: (i) R 9 and R 10 together form a double bond; (ii) R 9 is H and R 10 is OH; or (iii) R 9 is H and R 10 is OR A and R A is C 1-6 alkyl; wherein each of m, n, u and w may be 0 or 1; where (a) the compound is a dimer with each monomer being the same or different and being of formula (I) where one of R 1 , R 2 , R 3 and R 7 of the first monomer and one of R′ 1 , R′ 2 , R 3 and R′ 7 of the second monomer form together a bridge having the formula —X-L-X′— linking the monomers and m+n+u+w=1; or (b) a dimer and one of R 1 , R 2 and R 3 of the first monomer and one of R′ 1 , R′ 2 and R 3 of the second monomer form together a bridge having the formula —X-L-X′— linking the monomers and m=n=u=w=0; or (c) one of R 1 , R 2 , R 3 and R 7 has the formula: —X-L-X′-D or —(CH 2 )f-O—R 14 and m+n+u+w=0 or 1; or (d) R 7 has the formula: —X-L-X′— D or —(CH 2 ) g —O— 15 and m+n+u+w=1; and X-L-X′— is a linker group and D has the formula (II) or (III):
• AuBr₃-Catalyzed Thiooxime-to-Carbonyl Conversion: From Chiral Aliphatic Nitro Compounds to Ketones without Racemization
  作者：Jordi Burés、Carles Isart、Jaume Vilarrasa

  DOI：10.1021/ol9017722

  日期：2009.10.1

  quantitatively in situ, in THF−H2O at pH 7, by addition of AuBr3 (but not with other MXn!). Adducts arising from asymmetric nitro-Michael and nitro-aldol reactions afford 1,4-diketones and α-alkoxy ketones, respectively, with full retention of the configuration of the stereocenters α to the CHNO2/C═N−SPh/C═O groups.

  发现了在室温下在中性条件下发生的NO 2 -CO转化（Nef反应）的新变体。在将仲硝基烷烃转化为苯硫基酮亚胺之后，这些硫肟在pH-7的THF-H 2 O中通过添加AuBr 3进行原位定量水解（但不与其他MX n！一起水解）。由不对称的硝基-迈克尔和硝基-羟醛反应产生的加合物分别提供1,4-二酮和α-烷氧基酮，并完全保留了CHNO 2 /C═N-SPh/C═O的立体中心α的构型组。