氯甲醇 | 15454-33-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 氯甲醇
• 英文名称: chloromethanol
• CAS: 15454-33-8
• 化学式: CH₃ClO
• 分子量: 66.4872
• InChiKey: BCUPGIHTCQJCSI-UHFFFAOYSA-N

物化性质

• 熔点：
  182 °C
• 沸点：
  108.1±23.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  氯甲醇 在 盐酸 作用下， 以 gas 为溶剂， 生成 二氯甲醇
  参考文献：
  名称：

  Rate coefficient for the reaction of hydroxymethyl radicals with chlorine and infrared spectra of chloromethanol and dichloromethanol

  摘要：

  Quantitative infrared spectra have been recorded for chloromethanol and dichloromethanol, formed from the reactions of Cl2 with CH2OH and CHClOH, respectively. Chloromethanol decomposes quantitatively to HCHO and HCl, probably via a heterogeneous mechanism. The lower limit for the homogeneous gas-phase lifetime thus measured is 660 s. The rate coefficient for the reaction of CH2OH with Cl2 has been determined by measuring the products formed in experiments where O2 was allowed to compete with Cl2 for the CH2OH radicals. The rate coefficient is (2.7 +/- 0.7) x 10(-11) cm3 molecule-1 s-1 at 295 +/- 2 K. The rate coefficient for the reaction of Cl atoms with chloromethanol was estimated to be (4 +/- 2) x 10(-12) cm3 molecule-1 s-1 at 295 +/- 2 K.

  DOI：

  10.1021/j100110a019
• 作为产物：
  描述：

  chloromethyl formate 以 gaseous matrix 为溶剂， 生成 氯甲醇
  参考文献：
  名称：

  低温基质中甲酸氯甲酯和甲酸乙烯酯的光化学过程：红外光谱和氯甲醇和乙烯醇的从头算

  摘要：

  DOI：

  10.1021/j100317a024

文献信息

• Excavating precursors from the traditional Chinese herb Polygala tenuifolia and Gastrodia elata: Synthesis, anticonvulsant activity evaluation of 3,4,5-trimethoxycinnamic acid (TMCA) ester derivatives
  作者：Zefeng Zhao、Yajun Bai、Jing Xie、Xufei Chen、Xirui He、Ying Sun、Yujun Bai、Yangyang Zhang、Shaoping Wu、Xiaohui Zheng

  DOI：10.1016/j.bioorg.2019.03.006

  日期：2019.7

  In this article, a novel series of 3,4,5-trimethoxycinnamic acid (TMCA) ester derivatives 1-35 were designed inspired from the traditional Chinese herb pair drugs Polygala tenuifolia and Gastrodia elata and synthesized followed by in vivo and in silico evaluation of their anticonvulsant potential. All the synthesized derivatives were biologically evaluated for their anticonvulsant potential using two

  癫痫病是一组以反复发作为特征的神经系统疾病，困扰着全世界约6000万人。在本文中，从传统中草药配对药物远志和天麻中合成了一系列新颖的3,4,5-三甲氧基肉桂酸（TMCA）酯衍生物1-35，并对其进行了体内和计算机评价。他们的抗惊厥潜能。使用两种在小鼠中诱发的癫痫发作的急性模型，最大电击（MES）模型和sc-戊撑四唑（PTZ）模型，对所有合成衍生物的抗惊厥潜能进行了生物学评估。同时，通过旋转脚架性能测试和CCK-8分析评估了运动障碍，作为急性神经毒性的替代指标和对HepG-2细胞系的细胞毒性的体外筛选，分别。另外，测定了活性化合物的理化和药代动力学参数。我们的结果表明，化合物5、7、8、13、20、25、28、30和32在初步评估中表现出较好的抗惊厥活性，根据随后的药理和毒性研究结果，化合物28和32是最有前途的抗惊厥药评估。另外，分子建模实验预测了部分获得的活性分子与γ-氨基丁酸（GABA
• Visible-Light-Mediated C–I Difluoroallylation with an α-Aminoalkyl Radical as a Mediator
  作者：Fuyang Yue、Jianyang Dong、Yuxiu Liu、Qingmin Wang

  DOI：10.1021/acs.orglett.1c02905

  日期：2021.9.17

  for direct visible-light-mediated C–I difluoroallylation reactions of α-trifluoromethyl arylalkenes with alkyl iodides at room temperature with an α-aminoalkyl radical as a mediator. The protocol permits efficient functionalization of various α-trifluoromethyl arylalkenes with cyclic and acyclic primary, secondary, and tertiary alkyl iodides and is scalable to the gram level. This mild protocol uses

  在此，我们报告了一种在室温下以 α-氨基烷基自由基为介质的 α-三氟甲基芳基烯烃与烷基碘的直接可见光介导的 C-I 二氟烯丙基化反应的方案。该协议允许使用环状和非环状伯、仲和叔烷基碘对各种 α-三氟甲基芳基烯烃进行有效功能化，并且可扩展到克级。这种温和的协议使用廉价的介质，适用于复杂天然产物和药物的后期功能化。
• ANTI-AGING AGENT CONTAINING ARCTIGENIN DERIVATIVE
  申请人：ROHTO Pharmaceutical Co., Ltd.

  公开号：US20150093345A1

  公开（公告）日：2015-04-02

  An arctigenin derivative used for anti-aging treatment, including protection of the skin from the sun and recovery of skin elasticity. A variety of fatty acid ester derivatives, alcohol ether derivatives and alkylated derivatives are used as the arctigenin derivatives. Agents for controlling ET-1 production, elastase inhibitors, and anti-inflammatory agents are prepared. Such arctigenin derivatives are particularly useful as an external agent for the skin, such as an anti-inflammatory external agent, a sunscreen external agent, or an external agent for recovering elasticity.

  一种用于抗衰老治疗的牛蒡素衍生物，包括保护皮肤免受阳光伤害和恢复皮肤弹性。使用各种脂肪酸酯衍生物、醇醚衍生物和烷基衍生物作为牛蒡素衍生物。制备用于控制ET-1产生的药剂、弹性蛋白酶抑制剂和抗炎药剂。这种牛蒡素衍生物特别适用于皮肤外用剂，如抗炎外用剂、防晒外用剂或恢复弹性的外用剂。
• Kinetic study of hydrolysis of benzoates. Part XXIII-Influence of the substituent and temperature on the kinetics of the alkaline hydrolysis of alkyl benzoates in aqueous 2.25 M Bu₄NBr and 80% DMSO
  作者：Vilve Nummert、Mare Piirsalu

  DOI：10.1002/poc.508

  日期：2002.6

  respectively. The corresponding ρI values were 4.64, 4.94 and 3.64. The dependence of ρI on solvent and temperature in the alkaline hydrolysis of substituted alkyl benzoates was similar to that observed earlier for meta- and para-substituents in the alkaline hydrolysis of substituted phenyl benzoates and tosylates. The substituent dependence of the activation energy, E, was found to be completely caused by

  碱性水解取代的苯甲酸烷基酯C 6 H 5 CO（O）R的二级速率常数k 2（M -1 s -1）（R = CH 3，CH 2 Cl，CH 2 CN，CH 2分别在2.25 M n -Bu 4 NBr水溶液和80％（v / v）DMSO溶液中测量C measuredCH ，CH 2 C 6 H 5，CH 2 CH 2 Cl，CH 2 CH 2 OCH 3）。  。日志k使用等式测井值进行了分析ķ  =登录ķ 0  +ρσ+δ Ë小号乙。对于酯的烷基部分中的烷基取代基的空间效应，已经提出了E s B标度：E s B  =（log k R  -log k CH 3），其中k是取代烷基的酸性水解速率常数水中的苯甲酸酯或乙酸酯。作为极性取代参数，既塔夫特σ*和σ我使用的常量。使用σ和的log k值的双参数处理E s B常数给出了极好的相关性（R  = 0.997）。对于2.25  M n -Bu 4
• Acetic acid derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05726185A1

  公开（公告）日：1998-03-10

  Acetic acid derivatives of the formula ##STR1## wherein L, M, T and Q have the significance given in the description, can be used for the treatment or prophylaxis of illnesses which are caused by the binding of adhesive proteins to blood platelets and by blood platelet aggregation and cell-cell adhesion, and are manufactured by cleaving protecting groups in the corresponding protected compounds or by converting the cyano group into the amidino group in corresponding nitriles.

  公式为##STR1##的乙酸衍生物，其中L、M、T和Q的含义如描述中所示，可用于治疗或预防由粘附蛋白结合到血小板以及血小板聚集和细胞间黏附引起的疾病，并且可以通过裂解相应保护化合物中的保护基或将相应腈化合物中的氰基转化为氨基亚甲基基团来制造。