3-cyano-5-fluorobenzoyl chloride | 1064396-14-0

• 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: 3-cyano-5-fluorobenzoyl chloride
• 英文别名: 3-fluoro-5-cyanobenzoyl chloride；3-cyano-5-fluoro-benzoic acid chloride
• CAS: 1064396-14-0
• 化学式: C₈H₃ClFNO
• 分子量: 183.569
• InChiKey: WLBLIJUBANCKOH-UHFFFAOYSA-N

物化性质

• 沸点：
  260.1±25.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-cyano-5-fluorobenzoyl chloride 在 盐酸 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 JJC 5-054
  参考文献：
  名称：

  Design and synthesis of substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides as positive allosteric modulators of the metabotropic glutamate receptor subtype 5

  摘要：

  Based on SAR in the alkyne class of mGlu5 receptor negative allosteric modulators and a set of amide-based positive allosteric modulators, optimized substitution of the aryl 'b' ring was used to create substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides. Results from an mGlu5 receptor functional assay, using calcium fluorescence, revealed varying efficacies and potencies that provide evidence that subtle changes in compounds within a close structural class can have marked effects on functional activity including switches in modes of efficacy (i.e., negative to positive allosteric modulation). Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.12.110
• 作为产物：
  描述：

  3-氰基-5-氟苯甲酸 生成 3-cyano-5-fluorobenzoyl chloride
  参考文献：
  名称：

  Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

  摘要：

  本发明提供了化合物和药物组合物，它们作为代谢型谷氨酸受体的拮抗剂，并且适用于治疗神经系统疾病和紊乱。同时还公开了制备这些化合物的方法。

  公开号：

  US07112595B2

文献信息

• CGRP ANTAGONISTS
  申请人：Gottschling Dirk

  公开号：US20110059954A1

  公开（公告）日：2011-03-10

  The present invention relates to new CGRP-antagonists of general formula I wherein U, V, X, Y, R 1 , R 2 and R 3 are defined as stated hereinafter, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates, the mixtures thereof and the salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式I的新的CGRP拮抗剂，其中U、V、X、Y、R1、R2和R3如下所述定义，其互变异构体、同分异构体、对映异构体、水合物、混合物及其盐和盐的水合物，特别是其与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的药物组合物，其用途以及制备它们的过程。
• FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20190031600A1

  公开（公告）日：2019-01-31

  Provided is a fluorine atom-containing compound represented by formula (1) below (In the formula, Z represents a predetermined divalent group, each Ar independently represents a predetermined aromatic ring-containing group, and each Ar F independently represents a predetermined fluorine atom-containing aryl group).

  提供的是下面公式（1）所代表的含氟原子的化合物（在公式中，Z代表预定的二价基团，每个Ar独立代表预定的含芳香环的基团，每个ArF独立代表预定的含氟原子的芳基基团）。
• CGRP antagonists
  申请人：Gottschling Dirk

  公开号：US08629137B2

  公开（公告）日：2014-01-14

  The present invention relates to new CGRP-antagonists of general formula I wherein U, V, X, Y, R1, R2 and R3 are defined as stated hereinafter, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates, the mixtures thereof and the salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一种新的CGRP拮抗剂，其通式为I，其中U、V、X、Y、R1、R2和R3如下所述，其互变异构体、异构体、对映异构体、立体异构体、水合物、其混合物以及其盐和盐的水合物，特别是与无机或有机酸或碱的生理可接受盐，以及含有这些化合物的制药组合物、它们的用途和制备它们的方法。
• ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP3056484A1

  公开（公告）日：2016-08-17

  Provided is an arylsulfonic acid compound characterized by being represented by formula (1). [In the formula, Ar1 represents a group represented by formula (2) (in formula (2), R1 to R5 each independently represent a hydrogen atom, halogen atom, cyano group, nitro group, methyl group, or trifluoromethyl group; however, at least one of R1 to R5 represents a halogen atom) and Ar2 represents a group represented by formula (3) or (4).]

  本发明提供了一种芳基磺酸化合物，其特征在于由式（1）表示。 [式中，Ar1 代表由式（2）表示的基团（式（2）中，R1 至 R5 各自独立地代表氢原子、卤素原子、氰基、硝基、甲基或三氟甲基；但是，R1 至 R5 中至少有一个代表卤素原子），Ar2 代表由式（3）或（4）表示的基团。］
• OLIGOANILINE DERIVATIVE, CHARGE-TRANSPORTING VARNISH, AND ORGANIC ELECTROLUMINESCENT ELEMENT
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP3121163A1

  公开（公告）日：2017-01-25

  Provided are an oligoaniline derivative represented by formula (1), a charge-transporting varnish comprising the oligoaniline derivative, and an organic EL element. (In the formula, R1 is a hydrogen atom or optionally substituted alkyl group, R2 to R10 are each independently a hydrogen atom, halogen atom, nitro group, cyano group, or optionally substituted alkyl group, alkenyl group, alkynyl group, aryl group, or heteroaryl group; A is an optionally substituted fluoroalkyl group, fluorocycloalkyl group, fluorobicycloalkyl group, fluoroalkenyl group, or fluoroalkynyl group, optionally substituted fluoroaryl group, substituted phenyl group, optionally substituted fluoroaralkyl group, or substituted aralkyl group; and n1 is an integer of 1 to 20.)

  本文提供了一种由式（1）表示的低聚苯胺衍生物、一种包含该低聚苯胺衍生物的电荷传输清漆和一种有机 EL 元件。 (式中，R1 是氢原子或任选取代的烷基，R2 至 R10 各自独立地是氢原子、卤素原子、硝基、氰基或任选取代的烷基、烯基、炔基、芳基或杂芳基；A 是任选取代的氟烷基、氟环烷基、氟双环烷基、氟烯基或氟炔基、任选取代的氟芳基、取代的苯基、任选取代的氟烷基或取代的芳烷基；以及 n1 是 1 至 20 的整数。)