3-Acetoxy-3-methyl-2-oxo-butyric acid methyl ester | 131696-09-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Acetoxy-3-methyl-2-oxo-butyric acid methyl ester
• 英文别名: methyl 3-acetyloxy-3-methyl-2-oxobutanoate
• CAS: 131696-09-8
• 化学式: C₈H₁₂O₅
• 分子量: 188.18
• InChiKey: DTCNYXLFYYTFMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.07
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-((1R)-3-benzyl-7-oxo-(1rH,5cH)-4-thia-2,6-diaza-bicyclo[3.2.0]hept-2-en-6-yl)-3-methyl-but-2-enoic acid methyl ester 以70%的产率得到
  参考文献：
  名称：

  TANAKA, HIDEO;TANIGUCHI, MASATOSHI;NODA, YOSHIAKI;KAMEYAMA, YUTAKA;SASAOK+, CHEM. EXPRESS., 5,(1990) N1, C. 873-876

  摘要：

  DOI：

文献信息

• Prominent Aspects of Electroorganic Synthesis in β-Lactam Chemistry
  作者：Sigeru Torii、Hideo Tanaka、Michio Sasaoka、Norio Saitoh、Takashi Siroi、Junzo Nokami

  DOI：10.1002/bscb.19820911202

  日期：——

  AbstractThe potentiality of electrolysis procedures in the penicillin‐cephalosporin conversion as well as in the direct transform of penicillins into oxazolineazetidinones as an intermediate for the preparation of the sulfur‐free analogues of cephalosporins are discussed. Especially, a chemoselective electrolytic chlorination of methyl group of 3‐methyl‐3‐butenoate moiety of thiazolineazetidinone derived from penicillins, a direct synthesis of 3′‐thiosubstituted cephalosporins from the thiazoline‐azetidinones, an improved synthesis of exomethylenecephams, an efficient route to 3‐chloromethyl‐Δ3‐cephems, electrochemical S‐S bond fission of 4‐(2‐benzothiazolyldithio) azetidinones, a direct transformation of penicillins into oxazoline‐azetidinones by chloride salt‐promoted electrolysis, and a versatile intermediate for new β‐lactam antibiotics are presented.
• TANAKA, HIDEO;TANIGUCHI, MASATOSHI;NODA, YOSHIAKI;KAMEYAMA, YUTAKA;SASAOK+, CHEM. EXPRESS., 5,(1990) N1, C. 873-876
  作者：TANAKA, HIDEO、TANIGUCHI, MASATOSHI、NODA, YOSHIAKI、KAMEYAMA, YUTAKA、SASAOK+

  DOI：——

  日期：——