2-bromo-1,5-difluoro-3-methoxyl benzene | 491852-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-bromo-1,5-difluoro-3-methoxyl benzene
• 英文别名: 2-bromo-1,5-difluoro-3-methoxybenzene
• CAS: 491852-44-9
• 化学式: C₇H₅BrF₂O
• 分子量: 223.017
• InChiKey: IQMKRBVZNZJPQC-UHFFFAOYSA-N

物化性质

• 沸点：
  169.5±35.0 °C(Predicted)
• 密度：
  1.615±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  2-bromo-1,5-difluoro-3-methoxyl benzene 在 盐酸 、 四(三苯基膦)钯 、 10 wt% Pd(OH)2 on carbon 、 氢气 、 palladium diacetate 、 三溴化硼 、 potassium carbonate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 二氯甲烷 、 异丙醇 、 甲苯 为溶剂， 反应 2.42h， 生成 2-[1-[8-chloro-3-(cyclopropylmethyl)-1,2,4-triazolo[4,3-a]pyridin-7-yl]-4-piperidinyl]-3,5-difluoro-phenol
  参考文献：
  名称：

  Synthesis, Evaluation, and Radiolabeling of New Potent Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 2 as Potential Tracers for Positron Emission Tomography Imaging

  摘要：

  The synthesis and in vitro and in vivo evaluation of a new series of 7-(phenylpiperidinyl)-1,2,4-triazolo[4,3-a]pyridines, which were conveniently radiolabeled with carbon-11, as potential positron emission tomography (PET) radiotracers for in vivo imaging of the allosteric binding site of the metabotropic glutamate (mGlu) receptor subtype 2 are described. The synthesized compounds proved to be potent and selective positive allosteric modulators (PAMs) of the mGlu receptor 2 (mGluR2) in a [S-35]GTP gamma S binding assay and were able to displace an mGluR2 PAM radioligand, which we had previously developed, with IC50 values in the low nanomolar range. The most promising candidates were radiolabeled and subjected to biodistribution studies and radiometabolite analysis in rats. Preliminary small-animal PET (mu PET) studies in rats indicated that [C-11]20f binds specifically and reversibly to an mGluR2 allosteric site, strongly suggesting that it is a promising candidate for PET imaging of mGluR2 in the brain.

  DOI：

  10.1021/jm300912k
• 作为产物：
  描述：

  2-溴-3,5-二氟苯酚 、 碘甲烷 以to yield intermediate I-18 (0.53 g, quant. yield)的产率得到2-bromo-1,5-difluoro-3-methoxyl benzene
  参考文献：
  名称：

  RADIOLABELLED mGluR2 PET LIGANDS

  摘要：

  本发明涉及一种新型、选择性、放射性标记的mGluR2配体，可用于使用正电子发射断层扫描（PET）成像和定量mGluR2在组织中。本发明还涉及包含这些化合物的组合物、制备这些化合物和组合物的过程、使用这些化合物和组合物在体内或体外成像组织、细胞或宿主，以及这些化合物的前体。

  公开号：

  US20130230459A1

文献信息

• RADIOLABELLED mGluR2 PET LIGANDS
  申请人：Andrés-Gil José Ignacio

  公开号：US20130230459A1

  公开（公告）日：2013-09-05

  The present invention relates to novel, selective, radiolabelled mGluR2 ligands which are useful for imaging and quantifying the metabotropic glutamate receptor mGluR2 in tissues, using positron-emission tomography (PET). The invention is also directed to compositions comprising such compounds, to processes for preparing such compounds and compositions, to the use of such compounds and compositions for imaging a tissue, cells or a host, in vitro or in vivo and to precursors of said compounds.

  本发明涉及新型的、选择性的、放射性标记的mGluR2配体，这些配体可用于使用正电子发射断层扫描（PET）在组织中成像和量化代谢型谷氨酸受体mGluR2。本发明还涉及包含这些化合物的组合物，制备这些化合物和组合物的方法，使用这些化合物和组合物在体外或体内成像组织、细胞或宿主，以及所述化合物的前体。
• [EN] RADIOLABELLED mGLuR2 PET LIGANDS<br/>[FR] LIGANDS RADIOMARQUÉS POUR LA TOMOGRAPHIE PAR ÉMISSION DE POSITRONS DU MGLUR2
  申请人：JANSSEN PHARMACEUTICALS INC

  公开号：WO2012062752A1

  公开（公告）日：2012-05-18

  The present invention relates to novel, selective, radiolabelled mGluR2 ligands which are useful for imaging and quantifying the metabotropic glutamate receptor mGluR2 in tissues, using positron-emission tomography (PET). The invention is also directed to compositions comprising such compounds, to processes for preparing such compounds and compositions, to the use of such compounds and compositions for imaging a tissue, cells or a host, in vitro or in vivo and to precursors of said compounds.

  本发明涉及一种新颖的、选择性的、放射标记的mGluR2配体，用于利用正电子发射断层扫描（PET）在组织中成像和定量测量代谢型谷氨酸受体mGluR2。该发明还涉及包含这种化合物的组合物，制备这种化合物和组合物的方法，利用这种化合物和组合物在体内或体外成像组织、细胞或宿主，以及这种化合物的前体。
• [EN] METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES<br/>[FR] PROCÉDÉS DE PRÉPARATION DE DÉRIVÉS DE QUINAZOLÉINE
  申请人：ARAXES PHARMA LLC

  公开号：WO2017100546A1

  公开（公告）日：2017-06-15

  Methods for preparing compounds having the following structure (I): (Formula (I)) or a pharmaceutically acceptable salt, stereoisomer, or tautomer thereof, wherein R1, R2a, R2b, R3a, R3b, R4a, R4b and R4c, are as defined herein are provided. Related compounds and methods for making the same are also provided.

  提供制备具有以下结构（I）的化合物的方法：（结构式（I））或其药学上可接受的盐，立体异构体或互变异构体，其中R1，R2a，R2b，R3a，R3b，R4a，R4b和R4c如本文所定义。同时也提供了相关的化合物和制备方法。
• Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides
  申请人：——

  公开号：US20040167136A1

  公开（公告）日：2004-08-26

  Substituted 6-(2-methoxy-phenyl)-triazolopyrimidines of formula I 1 in which R 1 and R 2 independently denote hydrogen or alkyl, alkenyl, alkynyl, or alkadienyl, haloalkyl, haloalkenyl, cycloalkyl, phenyl, naphthyl, or 5- or 6-membered heterocyclyl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or 5- or 6-membered heteroaryl, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, or where R 1 and R 2 radicals may be unsubstituted or substituted as defined in the description, or R 1 and R 2 together with the interjacent nitrogen atom represent a 5- or 6-membered heterocyclic ring, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which may be substituted; L 1 , L 2 independently denote hydrogen or halogen, provided that at least one from L 1 or L 2 is halogen; X is halogen, cyano, alkyl, alkoxy, haloalkoxy or alkenyloxy; processes for their preparation, compositions containing them and to their use for combating phytopathogenic fungi.

  公式I1中的6-(2-甲氧基苯基)-三唑嘧啶，其中R1和R2分别表示氢或烷基、烯基、炔基或烯二烃基、卤代烷基、卤代烯基、环烷基、苯基、萘基或含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5-或6元杂环基，或含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5-或6元杂环芳基，或者R1和R2基团可以是未取代的或按照说明中定义的被取代的，或者R1和R2连同中间的氮原子表示含有1至4个氮原子或1至3个氮原子和1个硫或氧原子的5-或6元杂环环，该环可以被取代；L1、L2分别表示氢或卤素，但至少有一个来自L1或L2是卤素；X为卤素、氰基、烷基、烷氧基、卤代烷氧基或烯基氧基；它们的制备方法、含有它们的组合物以及用于防治植物病原真菌的用途。
• SUBSTITUTED 6-(2-METHOXYPHENYL)TRIAZOLOPYRIMIDINES AS FUNGICIDES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1412356A1

  公开（公告）日：2004-04-28