氯羰基-苯基-乙酸 | 41393-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 氯羰基-苯基-乙酸
• 英文名称: chlorocarbonyl-phenyl-acetic acid
• 英文别名: Phenylmalonsaeuremonochlorid；3-Chloro-3-oxo-2-phenylpropanoic acid
• CAS: 41393-81-1
• 化学式: C₉H₇ClO₃
• 分子量: 198.606
• InChiKey: DPPJUNQLKVGLNY-UHFFFAOYSA-N

物化性质

• 沸点：
  316.6±35.0 °C(Predicted)
• 密度：
  1.392±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯羰基-苯基-乙酸 在 三氟化硼乙醚 作用下， 生成 2,2-二甲基-5-苯基-1,3-二氧杂环乙烷-4,6-二酮
  参考文献：
  名称：

  A One Pot Synthesis of 5-Phenyl-1,3-Dioxane-4,6-Dione Derivatives

  摘要：

  A general procedure for synthesis of 5-phenyl-1,3-dioxane-4,6-dione derivatives is described. The synthesis involves the cycloaddition of (alpha - chlorocarbonyl)phenylketene with carbonyl compounds to generate the corresponding substituted 2-oxetanone's which is readily transformed to the final products in one step. The 1,3-dioxane-4,6-dione is a rigid cyclic structure, and can undergo easy hydrolysis.

  DOI：

  10.1080/00397910008086875
• 作为产物：
  描述：

  苯丙二酸 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 氯羰基-苯基-乙酸
  参考文献：
  名称：

  A One Pot Synthesis of 5-Phenyl-1,3-Dioxane-4,6-Dione Derivatives

  摘要：

  A general procedure for synthesis of 5-phenyl-1,3-dioxane-4,6-dione derivatives is described. The synthesis involves the cycloaddition of (alpha - chlorocarbonyl)phenylketene with carbonyl compounds to generate the corresponding substituted 2-oxetanone's which is readily transformed to the final products in one step. The 1,3-dioxane-4,6-dione is a rigid cyclic structure, and can undergo easy hydrolysis.

  DOI：

  10.1080/00397910008086875

文献信息

• Synthesis of cephalosporins with substituted thiadiazoles directly attached to the C3-position. I. Synthesis of 3-(5-substituted-1,3,4-thiadiazol-2-yl)ceph-3-em derivatives.
  作者：TOHRU SUGAWARA、HIROTOMO MASUYA、TAISUKE MATSUO、TAKUICHI MIKI

  DOI：10.1248/cpb.28.2116

  日期：——

  3-(5-Substituted-1, 3, 4-thiadiazol-2-yl) ceph-3-em derivatives were prepared by oxidative ring closure with 2, 3-dichloro-5, 6-dicyanobenzoquinone directly or after acetylation of 3-thiocarbonylhydrazones, which were obtained from the reaction of 3-formylceph-3-ems and thiocarbonylhydrazines. The antibacterial activity of 7-thienylacetamido-3-(5-substituted-1, 3, 4-thiadiazol-2-yl) ceph-3-em derivatives (4) against gram-positive organisms was similar to that of cephalothin (CET), while the activity against gram-negative organisms was superior to that of CET. A similar oxidative ring closure reaction with other thiocarbonylhydrazones is also discussed.

  通过氧化环合反应，以2,3-二氯-5,6-二氰基苯醌直接或先经乙酰化3-硫羰基腙制得了3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物。这些3-硫羰基腙是从3-醛基头孢-3-烯和硫羰基酰肼反应得到的。7-噻吩基乙酰胺基-3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物(4)对革兰氏阳性菌的抗菌活性与头孢噻吩(CET)相似，而对革兰氏阴性菌的活性则优于CET。还讨论了与其他硫羰基腙的类似氧化环合反应。
• Semisynthetic .BETA.-lactam antibiotics. 8. Structure-activity relationships of .ALPHA.-sulfocephalosporins.
  作者：HIROAKI NOMURA、ISAO MINAMI、TAKENORI HITAKA、TAKESHI FUGONO

  DOI：10.7164/antibiotics.29.928

  日期：——

  Synthesis and in vitro activity of a number of cephalosporins having α-sulfoacyl- or other acyl groups, e.g., α-carboxyacyl- and α-sulfoaminoacyl- at the 7-position and bearing a variety of heterocyclic thioether or pyridinium moieties at the 3-position are described.

  介绍了一些头孢菌素的合成和体外活性，这些头孢菌素在 7 位上具有 α-磺酰基或其他酰基，如 α-羧酰基和 α-磺酰胺酰基，在 3 位上具有各种杂环硫醚或吡啶基。
• 6-(2-Aryl-2-(1,1-dioxopenicillanoyloxy-methoxycarbonyl)acetamido) Penicillanic acids
  申请人：PFIZER INC.

  公开号：EP0055933A2

  公开（公告）日：1982-07-14

  6-[2-(1,1-Dioxopenicillanoyloxymethoxycarbonyl)-2-phenylacetamido]penicillanic acid, 6-[2-(1,1-dioxopenicil- lanoyloxymethoxycarbonyl)-2-(3-thienyl)acetamido]-penicillanic acid and salts thereof with pharmaceutically acceptabie bases; their use as antibacterial agents; processes and intermediates for their preparation,

  6-[2-(1,1-二氧代苯甲酰氧基甲氧基羰基)-2-苯乙酰胺基]青霉烷酸、6-[2-(1,1-二氧代苯甲酰氧基甲氧基羰基)-2-(3-噻吩基)乙酰胺基]-青霉烷酸及其与药学上可接受的碱的盐类；它们作为抗菌剂的用途；制备它们的工艺和中间体、
• Chemistry of cephalosporin antibiotics. 22. Chemistry and biological activity of 3-alkoxymethyl cephalosporins
  作者：John A. Webber、George William Huffman、R. E. Koehler、Charles Franklin Murphy、Charles W. Ryan、Earle M. Van Heyningen、Robert T. Vasileff

  DOI：10.1021/jm00284a007

  日期：1971.2
• ——
  作者：DIACONU E.

  DOI：——

  日期：——