2-chloro-1-phenyl-1-pentanone | 77527-92-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-chloro-1-phenyl-1-pentanone
• 英文别名: 2-Chloro-1-phenyl-1-hexanone；1-Benzoyl-1-chlorpentan；2-chloro-1-phenylhexan-1-one
• CAS: 77527-92-5
• 化学式: C₁₂H₁₅ClO
• 分子量: 210.704
• InChiKey: SMWROLROJBOPTD-UHFFFAOYSA-N

物化性质

• 沸点：
  104 °C(Press: 0.5 Torr)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苯甲酸甲酯 、 1-溴-1-氯戊烷 生成 2-chloro-1-phenyl-1-pentanone
  参考文献：
  名称：

  Regiospecific Synthesis of α-Haloketones using α-Haloalkyllithium Reagents

  摘要：

  DOI：

  10.1055/s-1981-29343

文献信息

• Cathodic Addition of Benzylidyne Trichloride to Ketones and Aldehydes
  作者：Michael Steiniger、Hans J. Schäfer

  DOI：10.1246/bcsj.61.125

  日期：1988.1

  Ketones are converted to homologated enones 7a–g in good yields by cathodic addition of benzylidyne trichloride (1d). As intermediates α-chlorooxiranes 6 are assumed, which rearrange via α-keto carbenium ions 9 to enones. The intermediacy of 9 is supported by the addition of 1d to norcamphor, where the products indicate equilibrating norbornyl cations as intermediates. α,β-Unsaturated ketones lead depending on steric shielding of the double bond to the cyclopropane 23 as 1,4-adduct or the enone 26 as 1,2-adduct. With aldehydes and 1d, α-chloro or α-hydroxy ketones, the conversion products of 2-chlorooxiranes, are obtained.

  通过阴极加成三氯化苄基 (1d)，酮以良好的产率转化为同系烯酮 7a–g。假定α-氯环氧乙烷6作为中间体，其通过α-酮碳鎓离子9重排为烯酮。 9 的中间体通过向去甲樟脑添加 1d 得到支持，其中产物表明平衡降冰片基阳离子作为中间体。 α,β-不饱和酮根据双键的空间屏蔽导致作为1,4-加合物的环丙烷23或作为1,2-加合物的烯酮26。用醛和1d、α-氯或α-羟基酮，得到2-氯环氧乙烷的转化产物。
• Phlorophenone derivatives, processes for preparing such compounds, uses and pharmaceutical compositions of phlorophenone compounds
  申请人：NORISTAN LIMITED

  公开号：EP0069536A1

  公开（公告）日：1983-01-12

  Novel compounds of general formula I wherein R is a branched or unbranched alkyl, cycloalkyl, or aralkyl group, which group optionally contains or is substituted by a halogen or oxygen function, the oxygen function optionally being in the form of an alcohol or ether moiety; R1, R2, and R3 which may be the same of different, is hydrogen, an alkyl, acyl, or benzoyl group, which group optionally contains or is substituted by a halogen or oxygen function; R4 is hydrogen, an alkyl, alkenyl preferably being an allyl or prenyl group, or aralkyl group which group optionally contains or is substituted by an alkyl, aryl, halogen or oxygen function; R5 is hydrogen, an alkyl, aralkyl, acyl, or aryl group which group optionally contains or is substituted by an alkyl, aryl, halogen, or oxygen function; except that R4 and R5 are not both hydrogen; and except for the compounds when R5 is hydrogen and R is methyl, i-propyl, branched butyl, methoxy methyl, 2-phenylethyl, or 2-phenylethylene; chromans and dihydrobenzofurans derived from these compounds; pharmaceutically acceptable salts, and metabolites and metabolic precursors of these compounds; processes for preparing the aforementioned types of compounds; use of the aforementioned types of compounds as antibacterial and or antimycotic agents; and pharmaceutical compositions of such compounds

  通式 I 的新型化合物 其中 R 是支链或非支链烷基、环烷基或芳烷基，该基团可选择含有或被卤素或氧官能团取代，氧官能团可选择以醇或醚分子的形式存在； R1、R2 和 R3（可以相同或不同）是氢、烷基、酰基或苯甲酰基，该基团可选择含有卤素或氧官能团或被卤素或氧官能团取代； R4 是氢、烷基、烯基（最好是烯丙基或炔基）或芳烷基，其基团可选择含有或被烷基、芳基、卤素或氧官能团取代； R5 是氢、烷基、芳烷基、酰基或芳基，其基团可选择包含或被烷基、芳基、卤素或氧官能团取代；但 R4 和 R5 不能都是氢；R5 为氢且 R 为甲基、一丙基、支链丁基、甲氧基甲基、2-苯基乙基或 2-苯基乙烯的化合物除外； 由这些化合物衍生的铬烷和二氢苯并呋喃； 药学上可接受的盐，以及这些化合物的代谢物和代谢前体； 上述类型化合物的制备工艺；上述类型化合物作为抗菌剂和或抗霉菌剂的用途； 以及此类化合物的药物组合物
• Barluenga, Jose; Llavona, Lujan; Yus, Miguel, Journal of the Chemical Society. Perkin transactions I, 1991, # 11, p. 2890
  作者：Barluenga, Jose、Llavona, Lujan、Yus, Miguel、Concellon, Jose M.

  DOI：——

  日期：——
• Villieras, J.; Kirschleger, B.; Tarhouni, R., Bulletin de la Societe Chimique de France, 1986, # 3, p. 470 - 478
  作者：Villieras, J.、Kirschleger, B.、Tarhouni, R.、Rambaud, M.

  DOI：——

  日期：——
• Steiniger, Michael; Schaefer, Hans J., Angewandte Chemie, 1982, vol. 94, # 1, p. 75 - 76
  作者：Steiniger, Michael、Schaefer, Hans J.

  DOI：——

  日期：——