isopropyl (chlorosulfonyl)acetate | 303153-12-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 英文名称: isopropyl (chlorosulfonyl)acetate
• 英文别名: isopropyl chlorosulfonylacetate；isopropyl chlorosulfonacetate；Propan-2-yl 2-(chlorosulfonyl)acetate；propan-2-yl 2-chlorosulfonylacetate
• CAS: 303153-12-0
• 化学式: C₅H₉ClO₄S
• mdl: MFCD16072947
• 分子量: 200.643
• InChiKey: DKMIWRZVJKBDCC-UHFFFAOYSA-N

物化性质

• 沸点：
  253.0±23.0 °C(Predicted)
• 密度：
  1.361±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  isopropyl (chlorosulfonyl)acetate 在 polystyrene bound Grubbs ruthenium catalyst 4-二甲氨基吡啶 、 1-己烯 、 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 2-tert-Butoxycarbonylmethyl-1,1-dioxo-2,3,6,7-tetrahydro-1H-1λ⁶-[1,2]thiazepine-7-carboxylic acid isopropyl ester
  参考文献：
  名称：

  Ring-closing metathesis to a divergent endocyclic sulfonamide template

  摘要：

  The efficient synthesis of a novel endocyclic sulfonamide template via a ring-closing metathesis methodology is reported. A solid-supported variant of the Grubbs catalyst is shown to be effective and the suitability of the template for both combinatorial derivatization and potential incorporation into peptidomimetics is demonstrated. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)01167-9
• 作为产物：
  描述：

  氯磺酰基乙酰氯 、 异丙醇 以 二氯甲烷 为溶剂， 生成 isopropyl (chlorosulfonyl)acetate
  参考文献：
  名称：

  2',3'-Cyclopropanated Nucleoside Dimers

  摘要：

  本文描述了三种新型构象刚性二聚体的合成，这些二聚体含有环丙基酰胺和磺酰胺功能基团。将其引入寡核苷酸序列后，在与其互补RNA序列结合时，Tm值显著降低。

  DOI：

  10.1055/s-1997-802

文献信息

• 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa
  申请人：Steinmetzer Torsten

  公开号：US20090117185A1

  公开（公告）日：2009-05-07

  The invention relates to 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of coagulation factor Xa. The compounds are suitable for the treatment and prophylaxis of cardiovascular and thrombotic events.

  该发明涉及2-(氨甲基)-5-氯苄酰胺衍生物及其作为凝血因子Xa抑制剂的用途。这些化合物适用于治疗和预防心血管和血栓事件。
• ｐ27 단백질 유도제
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA (Chugai Pharmaceutical Co., Ltd.) 추가이 세이야쿠 가부시키가이샤(520000045945)

  公开号：KR101511396B1

  公开（公告）日：2015-04-13

  본 발명은, 하기 일반식 (11) 로 나타내는 화합물 또는 그 약학상 허용할 수 있는 염을 유효 성분으로 하는 p27 단백질 유도제를 제공한다. [식 중, G1, G2, G3 및 G8은, 각각 독립적으로 -N= 등에서 선택되고, 고리 G6은 2 가의 아릴기 등에서 선택되고, A 는 아미노기 등에서 선택되고, G4 는 산소 원자 등에서 선택되고, G5 는 산소 원자 등에서 선택되고, G7 은 -CH2- 등에서 선택되고, R2 는 C1-6 알킬기 등에서 선택된다]

  本发明提供了一种以化合物或其药学上可接受的盐所表示的有效成分作为p27蛋白诱导剂的一般式(11)。[其中，G1、G2、G3和G8分别独立地选择自-N=等，环G6选择自2个芳基等，A选择自氨基等，G4选择自氧原子等，G5选择自氧原子等，G7选择自-CH2-等，R2选择自C1-6烷基等]
• 2,1-Benzothiazine 2,2-Dioxides. 1. Synthesis, Structure, and Analgesic Activity of 1-R-4-Hydroxy-2,2-Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxylic Acid Esters
  作者：I. V. Ukrainets、L. A. Petrushova、S. P. Dzyubenko

  DOI：10.1007/s10593-013-1388-9

  日期：2013.12

  A preparative method for the synthesis of a series of 1-R-4-hydroxy-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylates has been developed. The special features of the steric structure for compounds of this class have been studied on the example of the 1-N-methyl derivative. Results of studying the analgesic properties of the substances obtained are given.

  一系列1-R-4-羟基-2,2-二氧代-1-的合成制备方法的ħ -2λ 6，1-苯并噻嗪-3-羧酸盐已被开发出来。在1-N-甲基衍生物的实例上已经研究了这类化合物的空间结构的特殊特征。给出了研究所得物质的镇痛特性的结果。
• Novel Coumarin Derivative Having Antitumor Activity
  申请人：Iikura Hitoshi

  公开号：US20110092700A1

  公开（公告）日：2011-04-21

  The present invention provides a compound represented by general formula (1) below or a pharmaceutically acceptable salt thereof: wherein: X is selected from heteroaryl etc., Y 1 and Y 2 are selected from —N═ etc., Y 3 and Y 4 are selected from —CH═ etc., A is selected from sulfamide etc., R 1 is selected from hydrogen etc., and R 2 is selected from C 1-6 alkyl etc. The compound or salt has sufficiently high antitumor activity, and is useful in the treatment of cell proliferative disorders, particularly cancers. The present invention also provides a pharmaceutical composition containing the compound or salt as an active ingredient.

  本发明提供一种由下式（1）或其药学上可接受的盐所表示的化合物：其中，X选自杂环芳基等；Y1和Y2选自—N═等；Y3和Y4选自—CH═等；A选自磺酰胺等；R1选自氢等；R2选自C1-6烷基等。该化合物或盐具有足够高的抗肿瘤活性，并可用于治疗细胞增殖性疾病，特别是癌症。本发明还提供一种含有该化合物或盐作为活性成分的制药组合物。
• p27 Protein Inducer
  申请人：Sakai Toshiyuki

  公开号：US20110009398A1

  公开（公告）日：2011-01-13

  The present invention provides a p27 protein inducing agent comprising a compound represented by general formula (11) below or pharmaceutically acceptable salt thereof as an active ingredient: wherein G 1 , G 2 , G 3 and G 8 are each independently selected from —N═ etc., Ring G 6 is selected from divalent aryl etc., A is selected from amino etc., G 4 is selected from oxygen etc., G 5 is selected from oxygen etc., G 7 is selected from —CH 2 — etc., and R 2 is selected from C 1-6 alkyl etc.

  本发明提供了一种p27蛋白诱导剂，其包含以下通式（11）所表示的化合物或其药学上可接受的盐作为活性成分：其中G1，G2，G3和G8各自独立地选择自—N═等，环G6选择自双价芳基等，A选择自氨基等，G4选择自氧等，G5选择自氧等，G7选择自—CH2—等，R2选择自C1-6烷基等。