(4-氯苯基)(吡啶-3-基)甲醇 | 68885-32-5

• 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: (4-氯苯基)(吡啶-3-基)甲醇
• 英文名称: α-(4-chlorophenyl)-3-pyridylmethanol
• 英文别名: (4-chlorophenyl)(pyridin-3-yl)methanol；α-Hydroxy-4-p-chlorbenzylpyridin；(pyridin-3-yl)-(4-chlorophenyl)methanol；α-(4-chlorophenyl)-3-pyridinemethanol；(3-pyridyl)-(4-chlorophenyl)methanol；(4-chlorophenyl)-pyridin-3-ylmethanol
• CAS: 68885-32-5
• 化学式: C₁₂H₁₀ClNO
• mdl: MFCD03076148
• 分子量: 219.671
• InChiKey: CQZLNPXEFGITEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  388.5±32.0 °C(Predicted)
• 密度：
  1.275±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  (4-氯苯基)(吡啶-3-基)甲醇 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 以1.57 g的产率得到(4-氯苯基)(3-吡啶基)甲酮
  参考文献：
  名称：

  1,1-二芳基烯烃的吡啶定向不对称氢化

  摘要：

  通过使用[Rh（NBD）DuanPhos] BF 4作为预催化剂，可以实现对映选择性1,1-二芳基烯烃的高度对映体吡啶定向的铑催化的不对称氢化。各种类型的2-吡啶取代的1,1-二芳基烯烃可以良好的至优异的对映选择性进行氢化，这为合成包含2-吡啶基乙烷单元的药物和生物活性化合物提供了一条有效途径。

  DOI：

  10.1021/acs.orglett.7b02262
• 作为产物：
  描述：

  (4-氯苯基)(3-吡啶基)甲酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以97%的产率得到(4-氯苯基)(吡啶-3-基)甲醇
  参考文献：
  名称：

  Design, structure–activity relationship and in vivo efficacy of piperazine analogues of fenarimol as inhibitors of Trypanosoma cruzi

  摘要：

  A scaffold hopping exercise undertaken to expand the structural diversity of the fenarimol series of anti-Trypanosoma cruzi (T. cruzi) compounds led to preparation of simple 1-[phenyl(pyridin-3-yl)methyl]piperazinyl. analogues of fenarimol which were investigated for their ability to inhibit T. cruzi in vitro in a whole organism assay. A range of compounds bearing amide, sulfonamide, carbamate/carbonate and aryl moieties exhibited low nM activities and two analogues were further studied for in vivo efficacy in a mouse model of T. cruzi infection. One compound, the citrate salt of 37, was efficacious in a mouse model of acute T. cruzi infection after once daily oral dosing at 20, 50 and 100 mg/kg for 5 days. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.050

文献信息

• Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation
  申请人：——

  公开号：US20020019383A1

  公开（公告）日：2002-02-14

  The present invention relates to pharmaceutical compositions containing, as active ingredient, a compound of formula: 1 in which R 1 represents a radical —NHCOR 4 or —N(R 5 )—Y—R 6 , Y is CO or SO 2 , R 4 represents a radical -alk-SO 2 —R 11 , -alk-SO 2 —CH═CH—R 11 or Het substituted with —SO 2 —R 11 or a phenyl radical substituted with —SO 2 —R 11 or -alk-SO 2 —R 11 , R 5 represents a hydrogen atom or an alkyl radical, R6 represents a phenylalkyl, Het or Ar radical, to the novel derivatives of formula (I) and to their preparation.

  本发明涉及包含作为活性成分的公式1化合物的药物组合物：其中R1代表—NHCOR4或—N(R5)—Y—R6，Y是CO或SO2，R4代表—alk-SO2—R11，-alk-SO2—CH═CH—R11或Het，或用—SO2—R11或—SO2—R11或-alk-SO2—R11取代的苯基自由基，R5代表氢原子或烷基自由基，R6代表苯基烷基，Het或Ar自由基，以及新颖的公式(I)衍生物及其制备方法。
• Azetidine derivatives, their preparation and pharmaceutical compositions containing them
  申请人：——

  公开号：US20010027193A1

  公开（公告）日：2001-10-04

  Compounds of formula: 1 in which R represents a CR 1 R 2 , C═C(R 5 )SO 2 R 6 or C═C(R 7 )SO 2 alk radical, their preparation and the pharmaceutical compositions containing them.

  式1中R代表CR1R2、C═C(R5)SO2R6或C═C(R7)SO2烷基基团，它们的制备以及含有它们的药物组合物。
• Pharmaceutical compositions containing azetidine derivatives, novel azetidine derivatives and their preparation
  申请人：Aventis Pharma S.A.

  公开号：US06355631B1

  公开（公告）日：2002-03-12

  The present invention relates to pharmaceutical compositions containing, as an active ingredient, at least one compound of formula: in which R1 represents a radical —N(R4)R5, —N(R4)—CO—R5, —N(R4)—SO2R6 or one of its pharmaceutically acceptable salts, to the novel derivatives of formula (I), to their pharmaceutically acceptable salts and to their preparation.

  本发明涉及含有至少一种化合物的药物组合物，其作为活性成分，该化合物的结构式为：其中R1代表基团—N(R4)R5，—N(R4)—CO—R5，—N(R4)—SO2R6或其药学上可接受的盐，以及结构式（I）的新衍生物，其药学上可接受的盐以及它们的制备方法。
• Rhodium-catalyzed benzylic fluorination of trichloroacetimidates
  作者：Qi Zhang、Jason C. Mixdorf、Gilbert J. Reynders、Hien M. Nguyen

  DOI：10.1016/j.tet.2015.04.066

  日期：2015.9

  via rhodium-catalyzed nucleophilic fluorination of benzylic trichloroacetimidates. A variety of naphthyl, phenyl, and pyridinyl trichloroacetimidates were fluorinated with Et3N·3HF reagent to provide fluorine-containing compounds in moderate to high yields under mild and operationally simple conditions. Preliminary mechanistic studies suggest that benzylic fluorination of trichloroacetimidate substrates

  通过铑催化的苄基三氯乙亚氨酸酯的亲核氟化反应合成了氟化苯甲酸酯。用Et 3 N·3HF试剂对各种萘基，苯基和吡啶基三氯乙酰亚胺酸酯进行氟化，以中等和高收率在温和且操作简单的条件下提供含氟化合物。初步的机理研究表明，三氯乙酰亚氨酸酯底物的苄基氟化反应更可能通过铑催化剂生成的离散的苄基阳离子进行。
• [EN] PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF<br/>[FR] COMPOSITIONS PHARMACEUTIQUES CONTENANT DES DERIVES D'AZETIDINE, LES NOUVEAUX DERIVES D'AZETIDINE ET LEUR PREPARATION
  申请人：AVENTIS PHARMA SA

  公开号：WO2001064634A1

  公开（公告）日：2001-09-07

  La présente invention concerne des compositions pharmaceutiques contenant comme principe actif au moins un composé de formule :dans laquelle R1 représente un radical -N(R4)R5, -N(R4)-CO-R5, -N(R4)-SO2R6 ou un de ses sels pharmaceutiquement acceptables, les nouveaux dérivés de formule (I), leurs sels pharmaceutiquement acceptables et leur préparation.

  本发明涉及一种制药组合物，其含有至少一种化合物作为活性成分，该化合物的化学式为：其中R1代表基团-N(R4)R5、-N(R4)-CO-R5、-N(R4)-SO2R6或其药学上可接受的盐，新的式(I)衍生物，其药学上可接受的盐以及它们的制备方法。