4'-chloro-2-(chloromethyl)biphenyl | 854234-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-chloro-2-(chloromethyl)biphenyl
• 英文别名: 1-chloro-4-[2-(chloromethyl)phenyl]benzene；4′-chloro-2-(chloromethyl)-1,1′-biphenyl；2-(4-chlorophenyl)benzyl chloride；2-(4-Chlor-phenyl)-benzylchlorid；4-chloro-2'-(chloromethyl)-1,1'-biphenyl；4'-Chloro-2-(chloromethyl)-1,1'-biphenyl
• CAS: 854234-88-1
• 化学式: C₁₃H₁₀Cl₂
• 分子量: 237.128
• InChiKey: IGDJRLDUHXVANT-UHFFFAOYSA-N

物化性质

• 熔点：
  48-49 °C
• 沸点：
  121-125 °C(Press: 0.45 Torr)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4'-chloro-2-(chloromethyl)biphenyl 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 乙二醇二甲醚 为溶剂， 反应 12.0h， 以52%的产率得到2-氯芴
  参考文献：
  名称：

  Highly Efficient and Versatile Synthesis of Polyarylfluorenes via Pd-Catalyzed C−H Bond Activation

  摘要：

  A facile protocol for the Pd-catalyzed preparative synthesis of fluorene derivatives has been developed. While a wide range of fluorenes; were easily obtained with high efficiency and selectivity under mild conditions, excellent functional group tolerance was also demonstrated. On the basis of Hammett and KIE studies, the present reaction is proposed to proceed via a base-assisted deprotonative metalation pathway.

  DOI：

  10.1021/ol901854f
• 作为产物：
  描述：

  1-氯-4-(2-甲基苯基)苯 在 四氯化碳 、 磺酰氯 、 过氧化苯甲酰 作用下， 生成 4'-chloro-2-(chloromethyl)biphenyl
  参考文献：
  名称：

  A Carbon-14 Tracer Study of the Alkaline Rearrangement of Chlorophenanthraquinones^1,2

  摘要：

  DOI：

  10.1021/ja01613a089

文献信息

• Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them
  申请人：Casara Patrick

  公开号：US20080188460A1

  公开（公告）日：2008-08-07

  Compounds of formula (I): wherein A represents a 5, 6 or 7-membered (hetero)aromatic or non-aromatic ring, n and n′ represent 0, 1 or 2 X represents an alkylene chain as defined in the description, R 3 represents an aryl or heteroaryl group, one of the groups R 1 and R 2 represents a hydrogen atom and the other represents a group of formula (II) as defined in the description. Medicinal products containing the same which are useful in treating conditions involving a defect in apoptosis.

  式(I)的化合物： 其中 A代表一个5、6或7-成员的(杂)芳香族或非芳香族环， n和n′代表0、1或2 X代表描述中定义的烷基链， R3代表芳基或杂芳基团， R1和R2中的一个代表氢原子，另一个代表描述中定义的式(II)的团。 含有这些化合物的药物，对治疗涉及凋亡缺陷的疾病有用。
• Multikilogram Synthesis of a Potent Dual Bcl-2/Bcl-x_L Antagonist. 1. Manufacture of the Acid Moiety and Development of Some Key Reactions
  作者：Christophe Hardouin、Sandrine Baillard、François Barière、Chloé Copin、Anthony Craquelin、Solenn Janvier、Sylvain Lemaitre、Stéphane Le Roux、Olivier Russo、Sébastien Samson

  DOI：10.1021/acs.oprd.9b00364

  日期：2020.5.15

  Our efforts toward the process development of drug candidate 1 are described in a series of two papers. This manuscript focuses on the synthesis of kilogram quantities of acid precursor 2 to provide batches of material for preclinical studies and first-in-human clinical trials. Our approach relies on a chiral resolution to furnish the desired stereocenter, a cryogenic carboxylation, and N-alkylation

  我们在两篇论文中描述了我们对候选药物1的开发过程。该手稿侧重于千克量的酸前体2的合成，以提供批次的材料用于临床前研究和首次人体临床试验。我们的方法依赖于手性拆分以提供所需的立体中心，低温羧化和通过Suzuki偶联制备的氯化物衍生物26的N-烷基化。还讨论了进一步的努力，以改进那些可能成为更大规模问题的关键步骤。
• NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE
  申请人：Savira pharmaceuticals GmbH

  公开号：US20140194432A1

  公开（公告）日：2014-07-10

  The present invention relates to a compound having the general formula (V), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which are useful in treating, ameloriating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

  本发明涉及具有通式（V）的化合物，可选地以药学上可接受的盐、溶剂合物、多型体、共药、共晶、前药、互变异构体、外消旋体、对映体或它们的混合物的形式存在，这些化合物在治疗、改善或预防病毒性疾病方面是有用的。此外，还披露了特定的联合疗法。
• TRICYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM.
  申请人：Casara Patrick

  公开号：US20110112104A1

  公开（公告）日：2011-05-12

  Compounds of formula (I): wherein: A represents a 5, 6 or 7-membered (hetero)aromatic or non-aromatic ring, Z 1 , Z 2 and Z 3 each independently of the others represents a CH group or a nitrogen atom, it being understood that at least one of these three groups is a nitrogen atom, X represents an alkylene chain as defined in the description, R 2 represents an aryl or heteroaryl group, the group R 1 represents a group of formula (II) as defined in the description Medicinal products containing the same which are useful in treating conditions involving a defect in apoptosis.

  公式（I）的化合物：其中：A代表一个5、6或7成员的（杂）芳香或非芳香环，Z1、Z2和Z3分别独立地代表一个CH基团或一个氮原子，其中至少其中一个是氮原子，X代表描述中定义的烷基链，R2代表芳基或杂芳基团，R1代表描述中定义的公式（II）的一个基团。含有这些化合物的药物产品对治疗涉及凋亡缺陷的疾病条件有用。
• Crystalline cetirizine monohydrochloride
  申请人：Reddy Satyanarayana Manne

  公开号：US20050020608A1

  公开（公告）日：2005-01-27

  A novel crystalline form of cetirizine monohydrochloride and processes for making the crystalline form as well as compositions, pharmaceutical compositions, and methods utilizing the crystalline form are described.

  描述了一种新的盐酸右美沙芬的结晶形式，以及制备该结晶形式的方法、组合物、药用组合物和利用该结晶形式的方法。