| 25152-36-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• CAS: 25152-36-7
• 化学式: C₆H₃F₂Li
• 分子量: 120.028
• InChiKey: SHZWCYLWIGITEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 (3R)-3-[(甲氧基甲基氨基)羰基]-1-哌啶羧酸 1,1-二甲基乙酯 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 tert-butyl (R)-3-(2,5-difluorobenzoyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Optimization of orally bioavailable alkyl amine renin inhibitors

  摘要：

  Structure-guided drug design led to new alkylamine renin inhibitors with improved in vitro and in vivo potency. Lead compound 21a, has an IC50 of 0.83 nM for the inhibition of human renin in plasma (PRA). Oral administration of 21a at 10 mg/kg resulted in >20 h reduction of blood pressure in a double transgenic rat model of hypertension. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.066
• 作为产物：
  描述：

  1,4-二氟苯 在 lithium chloride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Lithium Diisopropylamide-Mediated Ortholithiations: Lithium Chloride Catalysis

  摘要：

  Ortholithiations of a range of arenes mediated by lithium dilsopropylamide (LDA) in THF at -78 degrees C reveal substantial accelerations by as little as 0.5 mol % of LiCl (relative to LDA). Substrate dependencies suggest a specific range of reactivity within which the LiCl catalysis is optimal. Standard protocols with unpurified commercial samples of n-butyllithium to prepare LDA or commercially available LDA show marked batch-dependent rates-up to 100-fold-that could prove significant to the unwary practitioner. Other lithium salts elicit more modest accelerations. The mechanism is not discussed.

  DOI：

  10.1021/jo802713y

文献信息

• PROCESS FOR PRODUCING ORGANOLITHIUM COMPOUND AND PROCESS FOR PRODUCING SUBSTITUTED AROMATIC COMPOUND
  申请人：Inoue Hiroki

  公开号：US20110224457A1

  公开（公告）日：2011-09-15

  A method for producing an organolithium compound includes the step of reacting an aromatic compound or a halogenated unsaturated aliphatic compound and a lithiating agent in the presence of a coordinating compound containing three or more elements having a coordinating ability in a molecule, at least one thereof being a nitrogen element, or a coordinating compound containing three or more oxygen elements having a coordinating ability in a molecule, at least one of the groups containing the oxygen elements having a coordinating ability being a tertiary alkoxy group, at a temperature of −40° C. to 40° C.

  生产有机锂化合物的方法包括以下步骤：在含有一个或多个具有分子中配位能力的三个或更多元素的协调化合物的存在下，将芳香化合物或卤代不饱和脂肪化合物和锂试剂反应，其中至少一个元素是氮元素；或者在含有一个或多个具有分子中配位能力的三个或更多氧元素的协调化合物的存在下，其中至少一个含有配位能力的氧元素的基团是三级烷氧基团，反应温度为-40°C至40°C。
• [EN] STEREOSELECTIVE SYNTHESIS OF A 4,4-DISUBSTITUTED CYCLOHEXANEPROPANOIC ACID<br/>[FR] SYNTHESE STEREOSELECTIVE D'UN ACIDE CYCLOHEXANEPROPANOIQUE 4,4-DISUBSTITUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2005080309A1

  公开（公告）日：2005-09-01

  There is provided a stereoselective route to a compound of formula (1): wherein R represents H or an alkali metal, Ar1 represents 4-chlorophenyl and Ar2 represents 2,5-difluorophenyl.

  提供了一种立体选择性路线到一个化合物的结构式（1）：其中R代表H或碱金属，Ar1代表4-氯苯基，Ar2代表2,5-二氟苯基。
• BRUNE, H. A.;HESS, R.;SCHMIDTBERG, G., J. ORGANOMET. CHEM., 1986, 303, N 3, 429-435
  作者：BRUNE, H. A.、HESS, R.、SCHMIDTBERG, G.

  DOI：——

  日期：——
• HETERO-ANNULATED INDAZOLES
  申请人：Novuspharma S.p.A.

  公开号：EP0750619B1

  公开（公告）日：2001-05-30
• ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP0797576A1

  公开（公告）日：1997-10-01