S-methyl N-phenylbenzenecarboximidothioate | 6780-43-4

• 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: S-methyl N-phenylbenzenecarboximidothioate
• 英文别名: S-methyl N-phenylthiobenzimidate；Methyl-N-phenylthiobenzimidat；N-phenyl-thiobenzimidic acid methyl ester；N-Phenyl-thiobenzimidsaeure-methylester；Isothiobenzanilid-S-methylaether；S-Methyl-isothiobenzanilid；methyl N-phenylbenzenecarboximidothioate
• CAS: 6780-43-4
• 化学式: C₁₄H₁₃NS
• 分子量: 227.33
• InChiKey: OCGKZISWUGOYFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-methyl N-phenylbenzenecarboximidothioate 在 乙醇 、 镍 、 乙酸乙酯 作用下， 生成 1,4-二苯基-3,3-二甲基氮杂环丁烷-2-酮
  参考文献：
  名称：

  A β-Lactam with a Methylmercapto Substituent¹

  摘要：

  DOI：

  10.1021/ja01151a051
• 作为产物：
  描述：

  硫酸二甲酯 、 硫苯甲醯胺苯 在 sodium hydroxide 作用下， 生成 S-methyl N-phenylbenzenecarboximidothioate
  参考文献：
  名称：

  May, Journal of the Chemical Society, 1913, vol. 103, p. 2273

  摘要：

  DOI：

文献信息

• 1,3-Dipole mit zentralem S-Atom aus der Umsetzung von Aziden mit Thiocarbonyl-Verbindungen: Eine unerwartete MeS-Wanderung im Abfangprodukt eines ?Thiocarbonyl-aminids? mit Dithiobenzoes�ure-methylester
  作者：Grzegorz Mlosto?、Jaroslaw Roma?ski、Anthony Linden、Heinz Heimgartner

  DOI：10.1002/hlca.19950780609

  日期：1995.9.20

  1,3-Dipoles with a Central S-Atom from the Reaction of Azides and Thiocarbonyl Compounds: An Unexpected MeS Migration in the Trapping Product of a ‘Thiocarbonyl-aminide’ with Methyl Dithiobenzoate

  叠氮化物与硫代羰基化合物反应产生的具有中心S原子的1,3-偶极子：“硫代羰基氨基化物”与二硫代苯甲酸甲酯的捕集产物中发生意外的MeS迁移
• Preparation of .beta.-lactams and intermediates therefor
  申请人：Gist-Brocades N.V.

  公开号：US04260743A1

  公开（公告）日：1981-04-07

  Novel process for the preparation of .beta.-lactams of the formulae: ##STR1## wherein R' represents lower alkyl, aryl or aryl (lower alkyl), R" represents hydrogen or lower alkyl or R' and R" together with the carbon atoms to which they are attached represent lower cycloalkyl, R'" represents lower alkyl or a group --OR, wherein R represents lower alkyl, X.sub.1, Y.sub.1 and Z.sub.1 are hydrogen or selected organic radicals and R.sub.1 represents an acyl group; which successively involves reacting an 1,3-dicarbonyl compound of the formula: ##STR2## with glycine in the presence of a base to form a vinylamino salt of the formula: ##STR3## wherein M.sub.1.sup.+ is the cation of the base, activating the carboxyl group of said vinylamino salt with an appropriate activating agent and reacting the activated compound in the presence of a tertiary base with an imino compound of the formula: ##STR4## to form the corresponding .alpha.-vinylamino-.beta.-lactam of formula IV A and if desired, subjecting said .beta.-lactam to mild acid hydrolysis to obtain the corresponding .alpha.-amino-.beta.-lactam of formula V A and if desired, acylating said .alpha.-amino-.beta.-lactam with an appropriate acylating agent to obtain a corresponding .alpha.-acylamino-.beta.-lactam of formula VI A.

  很抱歉，您似乎没有提供需要翻译成中文的文本。请提供文本内容，我将为您翻译成中文。
• Structural investigation on isomeric spiro-β-lactams: NMR and X-ray study
  作者：Edward Grochowski、Przemysław Gluziński、Janusz W. Krajewski、Krzysztof Pupek

  DOI：10.1016/0022-2860(92)80011-6

  日期：1992.6

  been synthesized and investigated by 1 H and 13 C NMR, and structural X-ray diffraction methods. The isomer 3( SR ), 4( RS ), 5( RS ) ( I ) crystallizes in a triclinic system, space group P 1 , with cell dimendions α = 9.000(4), b = 9.606(2), c = 13.861(2) A, α = 104.44(2)°; β = 107.06(2)°, γ = 100.28(3)° and Z = 2; the isomer 3( RS ), 4( RS ), 5( RS ) ( II ) crystallizes in a monoclinic system, space

  摘要 1,4-二苯基-4-甲硫基-3(4')螺-(2',2')-二甲基-5'-甲氧基-羰基-1',3'-二氧戊环)-2-氮杂环丁酮的两种非对映异构体已通过 1 H 和 13 C NMR 和结构 X 射线衍射方法合成和研究。异构体 3( SR ), 4( RS ), 5( RS ) ( I ) 在三斜晶系中结晶, 空间群 P 1 , 晶胞尺寸 α = 9.000(4), b = 9.606(2), c = 13.861 (2) A, α = 104.44(2)°；β = 107.06(2)°，γ = 100.28(3)°，Z = 2；异构体 3( RS ), 4( RS ), 5( RS ) ( II ) 在单斜晶系中结晶, 空间群 P 2 1 / n , 晶胞尺寸 α = 9.642(1), b = 33.631(4), c = 12.967(1) A, β = 96.766(8)° 和 Z
• A novel and effective method for the synthesis 1,3,4-oxadiazoles from carbimidothioates and benzohydrazides: An unexpected cyclization
  作者：Ramesh Preetham、Malahalli S. Vijaya Kumar、Toreshettahally R. Swaroop、Kuppalli R. Kiran、Kodipura P. Sukrutha、Maralinganadoddi P. Sadashiva

  DOI：10.1080/00397911.2023.2187306

  日期：2023.4.18

  Abstract Synthesis of 1,3,4-oxadiazoles by employing carbimidothioates and benzohydrazides in presence of p-toluenesulfonic acid in dioxane solvent at reflux condition is reported. The presented procedure is noteworthy for its quick reaction time, high yield, broad application and less hazardous. The probable mechanism of production of 1,3,4-oxadiazoles is presented.

  摘要 报道了在对甲苯磺酸存在下，在回流条件下，在二恶烷溶剂中，使用硫代氨基甲酸酯和苯甲酰肼合成 1,3,4-恶二唑。所提出的程序以其快速的反应时间、高产率、广泛的应用和较低的危害而值得注意。介绍了 1,3,4-恶二唑的可能产生机制。
• Musajo; Amoruso, Gazzetta Chimica Italiana, 1937, vol. 67, p. 301,305
  作者：Musajo、Amoruso

  DOI：——

  日期：——