2,5-二(2,2,2-三氟乙氧基)-苯磺酰氯 | 152457-95-9

• 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: 2,5-二(2,2,2-三氟乙氧基)-苯磺酰氯
• 英文名称: 2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
• 英文别名: 2,5-bis[(2,2,2-trifluoroethyl)oxy]benzenesulfonyl chloride；2,5-Bis(2,2,2-trifluoroethoxy)benzene-1-sulfonyl chloride
• CAS: 152457-95-9
• 化学式: C₁₀H₇ClF₆O₄S
• mdl: MFCD00052841
• 分子量: 372.673
• InChiKey: UCHAULDYIPVTOP-UHFFFAOYSA-N

物化性质

• 熔点：
  48-52°C
• 沸点：
  352.5±42.0 °C(Predicted)
• 密度：
  1.553±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  10

安全信息

• 危险等级：
  CORROSIVE
• 危险品标志：
  C
• 危险类别码：
  R34
• 海关编码：
  2909309090
• 危险类别：
  CORROSIVE
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  2,5-二(2,2,2-三氟乙氧基)-苯磺酰氯 在 吡啶 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 21.5h， 生成 (+/-)-S-carboxymethyl-S-phenyl-N-[2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonyl]sulfoximine
  参考文献：
  名称：

  磺胺嘧啶取代的烯丙基甲苯磺酸酯的不对称脱羧克莱森重排反应

  摘要：

  已经制备了在乙酰基残基上含有多种N-芳基磺酰基磺酰亚胺亚胺的烯丙基乙酸酯，并将其进行脱羧化克莱森重排反应。重排的产物通常以良好的产率分离，并且已经获得了高达82:18的非对映选择性。所述ñ - （2,4,6- triisopropylphenylsulfonyl） -小号-苯基亚磺酰亚胺部分，得到最好的选择性。通过X射线晶体学确定主要异构体的立体化学。提出了解释重排的立体化学过程的模型。

  DOI：

  10.1021/jo050747d

文献信息

• Synthesis of 1-aroyl(1-arylsulfonyl)-4-bis(trifluoromethyl)alkyl semicarbazides as potential physiologically active compounds
  作者：Elena L. Luzina、Anatoliy V. Popov

  DOI：10.1016/j.jfluchem.2013.01.033

  日期：2013.4

  1,1-Bis(trifluoromethyl)alkyl isocyanates obtained from perfluoroisobutene (PFIB) react with aroyl(arylsulfonyl)hydrazines. Twenty eight prospective biologically active polyfluorinated 1,4-substituted semicarbazides were synthesized. The structure of each new product was confirmed by analytical and spectroscopic methods. The Lipinski's and Gelovani's parameters were then calculated. Two adjustments

  1,1-双（三氟甲基）全氟异丁烯从（PFIB）获得的异氰酸烷基酯与芳酰基（芳基磺酰基）肼反应。合成了28种预期的具有生物活性的多氟化1,4-取代的氨基脲。每一个新产品的结构进行了分析和光谱法证实。利平斯基的年代和格洛瓦尼的参数，然后计算。两次调整的五个利平斯基的规则建议氟化候选药物。
• 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle
  申请人：Sekiguchi Yoshinori

  公开号：US20080318923A1

  公开（公告）日：2008-12-25

  It is intended to provide a drug which is efficacious against pathological conditions relating to arginine-vasopressin V1b receptor. More particularly speaking, it is intended to provide a drug which has a therapeutic or preventive effect on depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorders, hypertension, digestive diseases, drug addiction, epilepsy, brain infarction, brain ischemia, brain edema, head injury, inflammation, immune diseases, alopecia and so on. As the results of intensive studies, a novel 1,3-dihydro-2H-indol-2-one compound and a pyrrolidin-2-one compound fused with a heteroaromatic ring, which are highly selective antagonists of arginine-vasopressin V1b receptor, have high metabolic stabilities and show favorable brain penetration and high plasma concentrations, are found, thereby achieving the above objective.

  旨在提供一种对与精氨酸加压素V1b受体相关的病理状况具有疗效的药物。更具体地说，旨在提供一种对抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、消化系统疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫疾病、脱发等具有治疗或预防作用的药物。经过深入研究，发现了一种新颖的1,3-二氢-2H-吲哚-2-酮化合物和与杂芳环融合的吡咯烷-2-酮化合物，它们是高度选择性的精氨酸加压素V1b受体拮抗剂，具有高代谢稳定性，表现出有利的血脑屏障穿透和高血浆浓度，从而实现了上述目标。
• Tyrosine alkoxyguanidines as integrin inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06344484B1

  公开（公告）日：2002-02-05

  The present invention relates to novel tyrosine alkoxyguanidine compounds that are inhibitors of alpha V (&agr;v) integrins, for example &agr;v&bgr;3 and &agr;v&bgr;5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by &agr;v&bgr;3 and &agr;v&bgr;5 integrins, including conditions such as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula: where R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, m and n are defined herein.

  本发明涉及新颖的酪氨酸烷氧基胍化合物，它们是αV（αv）整联蛋白的抑制剂，例如αvβ3和αvβ5整联蛋白，其药用可接受的盐以及由此构成的药物组合物。这些化合物可用于治疗由αvβ3和αvβ5整联蛋白介导的病理状况，包括肿瘤生长、转移、再狭窄、骨质疏松症、炎症、黄斑变性、糖尿病视网膜病变和类风湿性关节炎。这些化合物具有以下通用公式： 其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、m和n在此文中定义。
• Cathepsin C Inhibitors
  申请人：DENG Jianghe

  公开号：US20090264499A1

  公开（公告）日：2009-10-22

  A compound of formula (IA) or (IB) and their use in treating inflammatory diseases such as COPD.

  化合物的公式（IA）或（IB）及其在治疗炎症性疾病如COPD中的用途。
• Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases
  申请人：Bora Martin Keenan

  公开号：US20050004167A1

  公开（公告）日：2005-01-06

  The invention relates to BCAT inhibitor compounds of formula (I) and use thereof for treating or preventing neuronal loss associated with stroke, ischemia, CNS trauma, hypoglycemia and surgery, as well as treating neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis, Huntington's disease and Down's syndrome, treating or preventing the adverse consequences of the overstimulation of the excitatory amino acids, treating anxiety, psychosis, convulsions, aminoglycoside antibiotics-induced hearing loss, migraine headache, chronic pain, neuropathic pain, Parkinson's disease, diabetic retinopathy, glaucoma, CMV retinitis, urinary incontinence, opioid tolerance or withdrawal, and inducing anesthesia, as well as for enhancing cognition.

  本发明涉及公式（I）的BCAT抑制剂化合物及其用于治疗或预防与中风、缺血、中枢神经系统创伤、低血糖和手术相关的神经元丢失，以及治疗神经退行性疾病，包括阿尔茨海默病、肌萎缩性侧索硬化症、亨廷顿病和唐氏综合症，治疗或预防兴奋性氨基酸过度刺激的不良后果，治疗焦虑、精神病、惊厥、氨基糖苷类抗生素引起的听力损失、偏头痛、慢性疼痛、神经病性疼痛、帕金森病、糖尿病视网膜病变、青光眼、巨细胞病毒性视网膜炎、尿失禁、阿片类耐受或戒断，以及诱导麻醉和增强认知功能。