1-benzoyloxy-2-thiocyanato-ethane | 38957-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-benzoyloxy-2-thiocyanato-ethane
• 英文别名: 1-Benzoyloxy-2-thiocyanato-aethan；2-Thiocyanatoethyl benzoate
• CAS: 38957-93-6
• 化学式: C₁₀H₉NO₂S
• 分子量: 207.253
• InChiKey: OJWQXCSZQHNGTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-benzoyloxy-2-thiocyanato-ethane 在 sodium in silica gel 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以78%的产率得到bis(2-benzoyloxyethyl) disulfide
  参考文献：
  名称：

  Synthesis of Disulfanes from Organic Thiocyanates Mediated by Sodium in Silica Gel

  摘要：

  We report an efficient procedure for the synthesis of symmetrical disulfanes from organic thiocyanates in the presence of sodium in silica gel at room temperature. By avoiding the use of foul-smelling thiols, the present protocol provides an attractive alternative to existing methods for the preparation of symmetrical disulfanes.

  DOI：

  10.1055/s-0035-1560368
• 作为产物：
  描述：

  苯甲酸酐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 10.5h， 生成 1-benzoyloxy-2-thiocyanato-ethane
  参考文献：
  名称：

  脲类化合物及其作为STING抑制剂的医药用途

  摘要：

  本发明公开了如式I所示的脲类化合物及其作为STING抑制剂的医药用途，本发明的式I化合物或其药学上可接受的盐可用于制备预防或治疗STING介导的疾病的药物。#imgabs0#

  公开号：

  CN117756698A

文献信息

• Thiocyano ester
  申请人：ROHM &

  公开号：US02220521A1

  公开（公告）日：1940-11-05

  537,815. Esters ; insecticides. ROHM &; HAAS CO. Oct. 2, 1939, No. 27025. Convention date, Nov. 8, 1938. [Class 2 (iii)] [Also in Group VI] Esters of unsubstituted glycols or polyalkylene glycols, in which one hydroxyl group is esterified with a monocarboxylic acid containing at least four carbon atoms and the other is replaced by a thiocyano radicle, are made by heating the monocarboxylic acid ester of a halohydrin with a thiocyanate. The monocarboxylic ester of the halohydrin may be prepared by esterifying the glycol (1 mol.) with the acid (1 mol.) and treating the product with phosphorus trichloride, by reacting a halide of the acid with an alkylene oxide or halohydrin, by reacting the sodium salt of the acid with an alkylene dihalide, or by esterifying the acid with a halohydrin. The replacement of the halogen atom by a thiocyano group may be effected by heating with excess of an anhydrous inorganic thiocyanate in the presence or absence of an anhydrous solvent, e.g. methyl isobutyl ketone, copper or sodium .iodide being used as a catalyst if desired. The monocarboxylic acids may be aliphatic, aromatic, arylaliphatic, cycloaliphatic or heterocyclic, the following being specified : butyric, isobutyric, crotonic, α-ethylbutyric, capric, caprylic, lauric, α-ethyl-hexoic, myristic, naphthenic, benzoic, benzyloxybenzoic, salicylic, clupanodonic, chlorobenzoic. phenylacetic, abietic, campholic, naphthylacetic, tetrahydronaphthylacetic, fluorobenzoic, oleic, linoleic, eloidic, ricinoleic, octyloxyacetic, caprylphenoxyacetic, cyclohexyloxyacetic, m-nitrobenzoic, benzoylbenzoic, acetoacetic, undecylenic, stearic, eleostearic, palmitic, and commercial fatty acid mixtures, e.g. coco-nut oil fatty acids, mixtures obtained by oxidation of petroleum, and tall oils. As glycols, ethylene, propylene and butylene glycols, 1 : 10-decanediol, and diethylene ; triethylene and dibutylene glycols are specified. In examples products are obtained from (1) ethylene chlorhydrin, sodium thiocyanate and (a) furoic acid, (b) benzoic acid, (c) lauric acid, (d) technical coco-nut oil acid, (e) a commercial mixture of fatty acids obtained by oxidation of petroleum, and (f) naphthenic acid, (2) sodium isobutyrate is heated with #: #<;SP>;1<;/SP>;-dichlorodiethyl ether, and the product heated with sodium thiocyanate, and (3) the sodium salt of coco-nut oil acid is heated with #: #<;SP>;1<;/SP>;-dichlorodiethyl ether, and the product heated with sodium thiocyanate. The products are useful as insecticides ; they may be dissolved in kerosene to produce insect sprays, or mixed with talc to produce insecti- .cidal dusting powders. They may also be dissolved in a light oil and emulsified in water to produce agricultural sprays. They may be used in admixture with other toxic materials, such as other organic thiocyanates, rotenone, derris extract, pyrethrum, nitro-substituted phenylbenzyl ethers, or nitro-substituted diphenyl ethers. Specification 361,900 is referred to.

  537,815. 酯类；杀虫剂。ROHM & HAAS CO. 1939年10月2日，编号27025。公约日期，1938年11月8日。[2类(iii)] [也在第六组中] 未取代的乙二醇或聚烷基乙二醇的酯类，其中一个羟基与至少含有四个碳原子的一元羧酸酯化，另一个被硫氰基取代，通过将一元羧酸酯与硫氰酸盐加热制备。一元羧酸酯可以通过将乙二醇（1摩尔）与酸（1摩尔）酯化并用三氯化磷处理产物，通过将酸的卤化物与烷氧化物或卤水合物反应，通过将酸的钠盐与烷二卤化物反应，或通过将酸与卤水合物酯化来制备。将卤素原子替换为硫氰基可以通过在无水无机硫氰酸盐的过量存在下加热，在无水溶剂的存在或缺席下进行，例如甲基异丁基酮，如果需要，可使用铜或钠碘化物作为催化剂。一元羧酸可以是脂肪的、芳香的、芳基脂肪的、环脂肪的或杂环的，具体如下：丁酸、异丁酸、巴豆酸、α-乙基丁酸、癸酸、辛酸、月桂酸、α-乙基己酸、肉豆蔻酸、环烷酸、苯甲酸、苄氧基苯甲酸、水杨酸、鱼腥草酸、氯苯甲酸、苯乙酸、松香酸、萜酸、萘乙酸、四氢萘乙酸、氟苯甲酸、油酸、亚油酸、油酸、蓖麻油酸、辛氧基乙酸、辛基苯氧乙酸、环己氧基乙酸、m-硝基苯甲酸、苯甲酰苯甲酸、乙酰乙酸、十一烯酸、硬脂酸、亚油酸、棕榈酸和商业脂肪酸混合物，例如椰子油脂肪酸、由石油氧化得到的混合物和松香油。作为乙二醇，指定了乙烯、丙烯和丁烯乙二醇、1：10-癸二醇和二乙二醇；三乙二醇和二丁烯乙二醇。在示例中，从(1)乙烯氯水合物、硫氰酸钠和(a)呋酸、(b)苯甲酸、(c)月桂酸、(d)技术椰子油酸、(e)由石油氧化得到的商业脂肪酸混合物和(f)环烷酸中获得产品，(2)异丁酸钠与#：#<;SP>;1<;/SP>;-二氯二乙醚加热，产物与硫氰酸钠加热，以及(3)椰子油酸钠盐与#：#<;SP>;1<;/SP>;-二氯二乙醚加热，产物与硫氰酸钠加热。产品可用作杀虫剂；它们可以溶解在煤油中制成杀虫喷雾，或与滑石混合以制成杀虫粉末。它们也可以溶解在轻质油中，并乳化在水中制成农业喷雾。它们可以与其他有毒材料混合使用，例如其他有机硫氰酸盐、罗汤宁、德里斯提取物、除虫菊、硝基取代的苯基苯基醚或硝基取代的二苯基醚。参考规范361,900。
• Reactions of acid chlorides of halocarboxylic acids and tetracoordinated phosphorus acids with 2-thiocyanatoethoxytrimethylsilane
  作者：A. V. Fokin、A. F. Kolomiets、Yu. N. Studnev、A. I. Rapkin、V. I. Yakutin

  DOI：10.1007/bf00854563

  日期：1972.6
• THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS
  申请人：ASD Therapeutics Partners LLC

  公开号：EP2838888B1

  公开（公告）日：2017-04-12