1-chloromethoxy-3-methyl-butane | 41965-70-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-chloromethoxy-3-methyl-butane
• 英文别名: chloromethyl-isopentyl ether；Chlormethyl-isopentyl-aether；Chlormethyl-isoamyl-aether；1-(Chloromethoxy)-3-methylbutane
• CAS: 41965-70-2
• 化学式: C₆H₁₃ClO
• 分子量: 136.622
• InChiKey: JGDPNNZSGJXXGS-UHFFFAOYSA-N

物化性质

• 沸点：
  55.6 °C(Press: 24 Torr)
• 密度：
  0.947 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-chloromethoxy-3-methyl-butane 在 乙醚 、 苯 作用下， 生成 N-isopentyloxymethyl-N'-phenyl-thiourea
  参考文献：
  名称：

  Johnson; Guest, American Chemical Journal, 1909, vol. 41, p. 340

  摘要：

  DOI：
• 作为产物：
  描述：

  (3-甲基丁氧基)乙酸 在 氯化亚砜 、 硫酸 作用下， 反应 1.0h， 生成 1-chloromethoxy-3-methyl-butane
  参考文献：
  名称：

  Basavaiah, D.; Rao, P. Dharma; Gowriswari, V. V. L., Synthetic Communications, 1988, vol. 18, # 12, p. 1411 - 1414

  摘要：

  DOI：

文献信息

• BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD.

  公开号：US20190161468A1

  公开（公告）日：2019-05-30

  It is provided herein a benzobicycloalkane derivative, and a preparation method and use thereof. In particular, it is provided herein a compound of Formula (I), or a pharmaceutically acceptable salt, stereoisomer or solvate thereof, a preparation method, and a use thereof in preparation of drugs for treating pain.

  本文提供了一种苯并螺环烷衍生物，以及其制备方法和用途。具体而言，本文提供了一种式（I）化合物，或其药用可接受的盐、立体异构体或溶剂化合物，以及其制备方法，并用于制备治疗疼痛药物的用途。
• Synthesis and antimicrobial activities of new quats
  作者：A Skrzypczak、B Brycki、I Mirska、J Pernak

  DOI：10.1016/s0223-5234(97)83292-8

  日期：1997.7

  (Alkoxymethyl)dodecyldimethylammonium, (cycloalkoxymethyl)dodecyidimethylammonium, (alkylthiomethyl)dodecyldimethylammonium, (alkoxymethyl)dimethyloctylammonium, (cycloalkoxymethyl)dimethyloctylammonium and (alkylthiomethyl)dimethyloctylammonium chlorides were prepared in high yield. All the chlorides studied showed antimicrobial activity. The relationship between the chemical structure and antimicrobial activity was analyzed using the rough sets method.

  制备了高产率的（烷氧甲基）十二烷基二甲基铵、（环烷氧甲基）十二烷基二甲基铵、（烷基硫甲基）十二烷基二甲基铵、（烷氧甲基）二甲基辛基铵、（环烷氧甲基）二甲基辛基铵和（烷基硫甲基）二甲基辛基铵的氯化物。所研究的所有氯化物均表现出抗菌活性。利用粗糙集方法分析了化学结构与抗菌活性之间的关系。
• 1,6-Bis[(benzyloxy)methyl]uracil derivatives—Novel antivirals with activity against HIV-1 and influenza H1N1 virus
  作者：Alexander N. Geisman、Vladimir T. Valuev-Elliston、Alexander A. Ozerov、Anastasia L. Khandazhinskaya、Alexander O. Chizhov、Sergey N. Kochetkov、Christophe Pannecouque、Lieve Naesens、Katherine L. Seley-Radtke、Mikhail S. Novikov

  DOI：10.1016/j.bmc.2016.04.010

  日期：2016.6

  A series of 1,6-bis[(benzyloxy)methyl]uracil derivatives combining structural features of both diphenyl ether and pyridone types of NNRTIs were synthesized. Target compounds were found to inhibit HIV-1 reverse transcriptase at micro- and submicromolar levels of concentrations and exhibited anti-HIV-1 activity in MT-4 cell culture, demonstrating resistance profile similar to first generation NNRTIs

  合成了一系列的1,6-双[（苄氧基）甲基]尿嘧啶衍生物，结合了二苯醚和吡啶酮类型的NNRTIs的结构特征。发现目标化合物可在微摩尔和亚微摩尔浓度下抑制HIV-1逆转录酶，并在MT-4细胞培养物中表现出抗HIV-1活性，显示出与第一代NNRTIs相似的耐药性。合成的化合物还显示出在MDCK细胞培养物中针对流感病毒（H1N1）的强大活性，而没有可检测的细胞毒性。该测定法的先导化合物的活性似乎超过了金刚乙胺，金刚烷胺，利巴韦林和奥司他韦羧酸盐。1，6-双[（苄氧基）甲基]尿嘧啶对流感病毒的作用机理目前正在研究中。
• The Generation of the Ethenethiolate Anion and Its Reaction with Several Chloromethyl Alkyl Ethers and Sulfides
  作者：Shigeo Tanimoto、Hideyuki Ikehira、Tatsuo Oida、Toshio Kokubo

  DOI：10.1246/bcsj.56.1261

  日期：1983.4

  3-oxathiolane was deprotonated at the 4-position, followed by the cycloelimination of the resultant anion, leading to ethyl formate and the ethenethiolate anion. The anion was trapped by several chloromethyl alkyl ethers and sulfides to afford alkoxy(vinylthio)methanes and alkylthio(vinylthio)methanes respectively.

  2-Ethoxy-1,3-oxathiolane 在 4-位被去质子化，随后生成的阴离子环消，生成甲酸乙酯和乙烯硫醇阴离子。阴离子被几种氯甲基烷基醚和硫化物捕获，分别得到烷氧基（乙烯基硫代）甲烷和烷硫基（乙烯基硫代）甲烷。
• Multivalent VLA-4 antagonists comprising polymer moieties
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP2298356A2

  公开（公告）日：2011-03-23

  Disclosed are conjugates which bind VLA-4. Certain of these conjugates also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such conjugates are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The conjugates can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  公开了结合 VLA-4 的共轭物。其中某些共轭物还能抑制白细胞粘附，特别是由 VLA-4 介导的白细胞粘附。此类共轭物可用于治疗哺乳动物患者（如人类）的炎症性疾病，如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆症、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。共轭物还可用于治疗脑部炎症性疾病，如多发性硬化症。