2-异丙基苯甲酰氯 | 53881-34-8

• 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: 2-异丙基苯甲酰氯
• 英文名称: 2-isopropylbenzoic acid chloride
• 英文别名: 2-isopropylbenzoyl chloride；2-propan-2-ylbenzoyl chloride
• CAS: 53881-34-8
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: PZMSGKRRTOUKEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  2-异丙基苯甲酰氯 在 吡啶 、 potassium carbonate 、 hydroxylamine-O-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Synthesis and diuretic activity of 2,3-dihydro-4(1H)-quinolinone 4-oxime-O-sulfonic acid derivatives

  摘要：

  The diuretic activity of 6-chloro-2,3-dihydro-1-propionyl-4(1H)-quinolinone 4-oxime 1 (M12285) was previously shown to derive from a 6-chloro-2,3-dihydro-1-propionyl-4(1H)-quinolinone 4-oxime-O-sulfonic acid salt as a rat metabolite. Thus, in the present study, the potassium salt 2 (M17000) was synthesized to unambiguously establish the structure as well as the stereochemistry of the oxime. The structural features of compounds 1 and 2 were compared with those of conventional diuretics by electrostatic potential maps. Using compound 2 as a lead compound, various quinolinone oxime sulfonic acid derivatives were synthesized and the diuretic activity for elucidation of the structure-activity relationships examined. Among the compounds synthesized, 7-chloro-2,3-dihydro-1-(2-methylbenzoyl)-4(1H)-quinolinone 4-oxime-O-sulfonic acid potassium salt 3 (M17055) showed a particularly high activity. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80061-5
• 作为产物：
  描述：

  1-溴-2-异丙基苯 在 氯化亚砜 作用下， 生成 2-异丙基苯甲酰氯
  参考文献：
  名称：

  Fleurke,K.H. et al., Recueil des Travaux Chimiques des Pays-Bas, 1962, vol. 81, p. 93 - 101

  摘要：

  DOI：

文献信息

• [EN] PI-3 KINASE INHIBITOR PRODRUGS<br/>[FR] PROMEDICAMENTS D'INHIBITEURS DE PI-3 KINASE
  申请人：SEMAFORE PHARMACEUTICALS INC

  公开号：WO2004089925A1

  公开（公告）日：2004-10-21

  The invention provides novel prodrugs of inhibitors of PI-3 kinase. The novel compounds are LY294002 and analogs thereof comprising a reversibly quaternized amine.

  这项发明提供了PI-3激酶抑制剂的新型前药。这些新型化合物是LY294002及其类似物，包括可逆性季铵化胺。
• Improved synthesis of sterically encumbered heteroaromatic biaryls from aromatic β-keto esters
  作者：Brandon R. Rosen、Ehesan Ul Sharif、Dillon H. Miles、Nicholas S. Chan、Manmohan R. Leleti、Jay P. Powers

  DOI：10.1016/j.tetlet.2020.151855

  日期：2020.5

  A protocol for the synthesis of hindered 4-aryl 2-aminopyrimidines from β–keto esters is described. The process employs trifluoroethanol as an essential additive to promote the guanidine condensation reaction, enabling the synthesis of 25 aryl- and heteroaryl substituted aminopyrimidines in good yields and high purities with no column chromatography. The conditions described herein are readily scalable

  描述了由β-酮酸酯合成受阻4-芳基2-氨基嘧啶的方法。该方法采用三氟乙醇作为促进胍缩合反应的必要添加剂，无需柱色谱法即可以高收率和高纯度合成25个芳基和杂芳基取代的氨基嘧啶。本文所述的条件易于扩展，并且已用于临床A 2a / A 2b R拮抗剂AB928的大规模合成。
• 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents
  申请人：Warner-Lambert Company

  公开号：US05840751A1

  公开（公告）日：1998-11-24

  The present invention relates to novel 5,6-dihydropyrone derivatives and related structures which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The 5,6-dihydropyrone derivatives are useful in the development of therapies for the treatment of bacterial and viral infections and diseases, including AIDS. The present invention is also directed to methods of synthesis of multifunctionalized 5,6-dihydropyrones and of related structures.

  本发明涉及新颖的5,6-二氢吡咯衍生物及相关结构，这些衍生物能有效抑制HIV天冬氨酸蛋白酶，从而阻断HIV的感染性。5,6-二氢吡咯衍生物在开发用于治疗细菌和病毒感染及疾病（包括艾滋病）的治疗方法中是有用的。本发明还涉及多功能化5,6-二氢吡咯及其相关结构的合成方法。
• Retention of chirality of 5-membered alicyclic α-amino acids bearing N-(2-phenyl)benzoyl group in photoinduced decarboxylative intermolecular radical addition to acrylonitrile
  作者：Yui Ozaki、Tomoaki Yamada、Taisei Mizuno、Kazuyuki Osaka、Mugen Yamawaki、Hajime Maeda、Toshio Morita、Yasuharu Yoshimi

  DOI：10.1016/j.tet.2019.130493

  日期：2019.9

  5-membered alicyclic α-amino acids bearing a (2-phenyl)benzoyl protective group to acrylonitrile under mild organic photoredox catalysis conditions furnished γ-amino acid derivatives with high retention of chirality via the memory of chirality (MOC) strategy. The retention of chirality in the photoinduced decarboxylation was strongly dependent on the structure of the alicyclic α-amino acids and alkenes. To

  在温和的有机光氧化还原催化条件下，将带有（2-苯基）苯甲酰基保护基的5元脂环族α-氨基酸的光诱导脱羧自由基加成到丙烯腈上，通过手性记忆（MOC），γ-氨基酸衍生物具有高度的手性保留能力战略。在光诱导的脱羧中手性的保留强烈依赖于脂环族α-氨基酸和烯烃的结构。据我们所知，这是使用MOC策略将烯烃脱羧分子间自由基加成至烯烃并在自由基生成位置保留手性的第一个例子。
• N-Heterocyclic-Carbene-Catalyzed C–H Acylation via Radical Relay
  作者：Yunquan Man、Shiwen Liu、Bo Xu、Xiaojun Zeng

  DOI：10.1021/acs.orglett.1c04317

  日期：2022.1.28

  (NHC)-catalyzed benzylic C–H acylation with aldehydes via the hydrogen atom transfer strategy is disclosed. This transformation involves a sequence of single-electron transfer, 1,5-hydrogen atom transfer, and radical cross-coupling steps. This method offers facile access to various highly functionalized ketones and exhibits good chemical yields and functional group tolerance.

  公开了一种通过氢原子转移策略与醛类进行N-氟代羧酰胺定向的 N-杂环卡宾 (NHC) 催化的苄基 C-H 酰化的方法。这种转变涉及一系列单电子转移、1,5-氢原子转移和自由基交叉偶联步骤。该方法提供了对各种高度官能化酮的轻松访问，并表现出良好的化学产率和官能团耐受性。