间氯对甲基氯苄 | 2719-40-6

• 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: 间氯对甲基氯苄
• 中文别名: 3-氯-4-甲基苯甲酰氯；3-氯-4-甲基氯苄
• 英文名称: 1-methyl-2-chloro-4-chloromethylbenzene
• 英文别名: 3-chloro-4-methyl-benzyl chloride；3-Chlor-4-methyl-benzylchlorid；3-chloro-4-methylbenzyl chloride；m-dichloroxylene；2-chloro-4-(chloromethyl)-1-methylbenzene
• CAS: 2719-40-6
• 化学式: C₈H₈Cl₂
• 分子量: 175.058
• InChiKey: JTMYLQKKQFLIGV-UHFFFAOYSA-N

物化性质

• 沸点：
  124 °C(Press: 20 Torr)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  间氯对甲基氯苄 在 caesium carbonate 、 [双(三氟乙酰氧基)碘]苯 、 potassium iodide 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 5.0h， 生成 2-chloro-6-[4-[1-(3-chloro-4-methylbenzyl)]piperidinylamino]-9-cyclopentylpurine
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493
• 作为产物：
  描述：

  对二甲苯 在 盐酸 、 potassium permanganate 作用下， 以 水 为溶剂， 反应 0.08h， 生成 间氯对甲基氯苄
  参考文献：
  名称：

  摘要：

  By an example of previously uncharacterized products obtained by alkylarenes radical chlorination was demonstrated that combination of various interpretation methods applied to the retention indices (RI) in the gas chromatography on the standard nonpolar phases (comparison of RI of products and initial compounds, characteristics of succession of the chromatographic elution of the structural isomers with the use of estimation of molecular dynamic parameters, application of the additive schemes to RI calculation, and using of structural analogy CH3<----> Cl for testing the results obtained) permitted unambiguous identification of the structure even without data of mass spectrometry.

  DOI：

  10.1023/a:1012343416008

文献信息

• [EN] INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE L'INTÉGRINE ALPHA 2 BÊTA 1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2021222789A1

  公开（公告）日：2021-11-04

  Disclosed herein, inter alia, are inhibitors of alpha 2 beta 1 integrin and methods of using the same.

  本公开的内容包括阿尔法2贝塔1整合素的抑制剂以及使用这些抑制剂的方法。
• [EN] TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE TETRAHYDRO-ISOQUINOLYL-ACETAMIDE DESTINES A SERVIR D'ANTAGONISTES DES RECEPTEURS D'OREXINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2004085403A1

  公开（公告）日：2004-10-07

  The invention relates to novel acetamide derivatives of formula (I) and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of such compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  该发明涉及公式（I）的新型乙酰胺衍生物及其在制备药物组合物中作为活性成分的用途。该发明还涉及相关方面，包括制备这类化合物的方法、含有其中一个或多个这类化合物的药物组合物，特别是它们作为促进睡眠的药物受体拮抗剂的用途。
• [EN] N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE)<br/>[FR] N-SULFONYLPIPERIDINES UTILISES COMME INHIBITEURS DE METALLOPROTEINASE (TACE) (ENZYME DE CONVERSION DU FACTEUR DE NECROSE TUMORALE DOLLAR G(A))
  申请人：ASTRAZENECA AB

  公开号：WO2004006925A1

  公开（公告）日：2004-01-22

  Compounds of formula (1), wherein Z is -CONR15OH or -N(OH)CHO and X is -(CR9R10)t-Q-(CR11R12)u- (where t and u are independently 0 or 1 with the proviso that t and u cannot both be 0);are inhibitors of metalloproteinases and in particular TACE.

  式（1）中的化合物，其中Z为 -CONR15OH 或 -N(OH)CHO，X为 -(CR9R10)t-Q-(CR11R12)u-（其中t和u独立取0或1，但t和u不能同时为0）；是金属蛋白酶抑制剂，特别是TACE。
• Solvent free synthesis of n-alkylated imino indoline-2-one derivatives under microwave irradiation
  作者：R. Zekavati、A. Doulah、M. K. Mohammadi、S. Shirali

  DOI：10.4314/bcse.v32i2.17

  日期：——

  The solvent-free microwave-assisted syntheses of N-alkyl isatin Schiff base derivatives are reported. These isatin derivatives are obtained as a result of the condensation of an isatin compound with a benzyl halide and an aniline derivatives using microwave irradiation condition in high yield and short reaction time.

  报道了无溶剂微波辅助合成N-烷基异吲哚Schiff碱衍生物。这些异吲哚衍生物是通过在微波照射条件下，将异吲哚化合物与苄卤和苯胺衍生物缩合得到的，具有高产率和短反应时间。
• Substituted alpha-amino acids having pharmaceutical activity
  申请人：Warner-Lambert Company

  公开号：US05175153A1

  公开（公告）日：1992-12-29

  The present invention is novel substituted .alpha.-amino acids, pharmaceutical compositions, method of use, and preparations therefore having utility for treating disorders which benefit from blockade of aspartate and glutamate receptors.

  本发明涉及新颖的取代.α.-氨基酸、药物组合物、使用方法以及为治疗受益于阻断天冬氨酸和谷氨酸受体的紊乱而制备的制剂。

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