N-(ethoxythiocarbonyl)urethane | 5585-23-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: N-(ethoxythiocarbonyl)urethane
• 英文别名: Aethyl-aethoxy(thiocarbonyl)carbamat；Ethoxythiocarbonyl-urethan；N-Carbethoxy-thioethylurethan；Ethyl-ethoxcarbonylthiocarbamat；μ-imido-1-thio-dicarbonic acid O,O'-diethyl ester；Aethoxycarbonyl-thiocarbamidsaeure-O-aethylester；ethoxycarbonyl-thiocarbamic acid O-ethyl ester；N-Carbaethoxy-thiocarbamidsaeure-O-aethylester；ethoxythiocarbonyl-carbamic acid ethyl ester；N-Carbaethoxy-monothiocarbamidsaeure-O-aethylester；diethyl thioimidodicarbonate；Ethyl ethoxythiocarbonylcarbamate；ethyl N-ethoxycarbothioylcarbamate
• CAS: 5585-23-9
• 化学式: C₆H₁₁NO₃S
• 分子量: 177.224
• InChiKey: IUQGNEBJNWBKCN-UHFFFAOYSA-N

物化性质

• 熔点：
  43-44 °C
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(ethoxythiocarbonyl)urethane 生成 3-Hydroxy-5-ethoxy-1,2,4-thiadiazol
  参考文献：
  名称：

  Taliani,L.; Perronnet,J., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 961 - 971

  摘要：

  DOI：
• 作为产物：
  描述：

  异硫氰酰甲酸乙酯 在 2-氨基噻唑 作用下， 以 乙酸乙酯 为溶剂， 生成 N-(ethoxythiocarbonyl)urethane
  参考文献：
  名称：

  Nagano,M. et al., Chemical and pharmaceutical bulletin, 1972, vol. 20, # 12, p. 2618 - 2625

  摘要：

  DOI：

文献信息

• Unexpectedly Stable (Chlorocarbonyl)(<i>N-</i>ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach–Weiss–Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones
  作者：George Barany、Doyle Britton、Lin Chen、Robert P. Hammer、Madeleine J. Henley、Alex M. Schrader、Victor G. Young

  DOI：10.1021/acs.joc.5b01826

  日期：2015.11.20

  trapping the title intermediate with N-methylaniline; and for (N-ethoxycarbonylcarbamoyl)(N′-methyl-N′-phenylcarbamoyl)disulfane, which is a short-lived intermediate in the reaction of the title (chlorocarbonyl)(carbamoyl)disulfane with excess N-methylaniline. The new chemistry and structural information reported herein is expected to contribute to accurate modeling of the ZWK reaction trajectory.

  Zumach-Weiss-Kühle (ZWK) 反应通过O-乙基硫代氨基甲酸酯加 (氯羰基) 亚磺酰氯与乙基氯化物和氯化氢作为副产物形成，氨基甲酰氯或异氰酸酯作为产率降低的副产物产生。然而，当 ZWK 反应以（N-乙氧基硫代羰基）氨基甲酸酯为起始材料时，不会发生杂环化为推定的“Dts-氨基甲酸酯” 。相反，该反应直接提供（氯羰基）（N-乙氧基羰基氨基甲酰基）二硫烷，一种相当稳定的结晶化合物；修改条件在 (氯羰基)[1-乙氧基-( N-乙氧羰基）甲亚氨基]二硫烷中间体。标题(氯羰基)(氨基甲酰基)二硫烷不能转化为难以捉摸的Dts衍生物，而是在热解时得到( N-乙氧基羰基)氨基甲酰氯，或在用叔胺处理时得到( N-乙氧基羰基)异氰酸酯。已经发现了这些化合物的其他转化，为已知和新物种提供了条目。报告了标题（氯羰基）（氨基甲酰基）二硫烷的 X 射线晶体结构；为（甲氧羰基）（N-乙氧羰基氨基甲酰基）
• [EN] INSECTICIDAL AND NEMATICIDAL DIFLUOROALKENE DERIVATIVES<br/>[FR] DERIVES DE DIFLUOROALKENE INSECTICIDES ET NEMATICIDES
  申请人：DU PONT

  公开号：WO2005080327A1

  公开（公告）日：2005-09-01

  Disclosed are compounds of Formula I, and their N-oxides and suitable salts thereof, which are useful for controlling invertebrate pests. I wherein Q is Q-1 or Q-2; Y is H, F, Cl or CH3; A is CN, C1-C6 alkyl, ORla, SRla, NRlaR2a or CONR1bR2b; Z is O, S or NR3; W is N or CR4; and J1, J2, Rla, R2a, R1b, R2b, R3, R4, R10 and n are as defined in the disclosure. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound of Formula I, an N-oxide thereof or a suitable salt of the compound (e.g., as a composition described herein). This invention also pertains to a composition for controlling an invertebrate pest comprising a biologically effective amount of a compound of Formula I, an N-oxide thereof or a suitable salt of the compound and at least one additional component selected from the group consisting of a surfactant, a solid diluent and a liquid diluent.

  揭示了Formula I的化合物及其N-氧化物和适宜的盐，用于控制无脊椎动物害虫。其中Q为Q-1或Q-2；Y为H、F、Cl或CH3；A为CN、C1-C6烷基、ORla、SRla、NRlaR2a或CONR1bR2b；Z为O、S或NR3；W为N或CR4；而J1、J2、Rla、R2a、R1b、R2b、R3、R4、R10和n的定义如本公开中所述。还揭示了一种控制无脊椎动物害虫的方法，包括将无脊椎动物害虫或其环境与Formula I的化合物、其N-氧化物或化合物的适宜盐（例如，作为本文所述的组合物）的生物有效量接触。本发明还涉及一种用于控制无脊椎动物害虫的组合物，包括Formula I的化合物、其N-氧化物或化合物的适宜盐的生物有效量，以及从表面活性剂、固体稀释剂和液体稀释剂组成的组中至少选择的一个额外组分。
• A new route to 2-oxazolines, bis-oxazolines, and 2-imidazoline-5-ones from imidates using solvent-free cycloadditions: Synthesis, chemical properties, and PM3 MO calculations
  作者：Jean Michel Lerestif、Loïc Toupet、Sourisak Sinbandhit、François Tonnard、Jean Pierre Bazureau、Jack Hamelin

  DOI：10.1016/s0040-4020(97)00295-0

  日期：1997.5

  The 1,3-dipolar cycloadditions between imidate 1, derived from dimethylaminomalonate and aldehydes 2(a-f), phthalaldehyde 2g, isophthalaldehyde 2h. 4-chlorophenylisocyanate 9a, ethoxycarbonylisothiocyanate 9d as dipolarophiles proceeds regioselectively in good yield using solvent-free conditions. Synthesis of ortho- and meta-bis-(2′-oxazoline-5′-yl)benzenes 6g, 6h are also reported. The regiochemistry

  衍生自二甲基氨基丙二酸酯的亚氨酸酯1与醛2（af），邻苯二甲醛2g和间苯二醛2h之间的1,3-偶极环加成。在无溶剂条件下，作为双极性亲和剂的4-氯苯基异氰酸酯9a，乙氧基羰基异硫氰酸酯9d以良好的产率选择性地进行区域选择性的反应。还报道了邻-和间-双-（2 -'-恶唑啉-5'-基）苯的合成6g，6h。这些环加成反应中的区域化学和反应性通过PM3 MO计算得到合理化。2-恶唑啉二甲基-4,4-二羧酸酯4a的立体选择性脱甲氧基羰基化描述。5-（2-甲酰基苯基）-2-恶唑啉4g的温和水解导致定量产量的新3,4-二氢异喹啉8h的形成。
• Novel phosphoryloxy-thiazoles
  申请人：Roussel-UCLAF

  公开号：US04020076A1

  公开（公告）日：1977-04-26

  Novel 4-phosphoryloxy-5-cyano-thiazoles of the formula ##STR1## wherein R is selected from the group consisting of alkyl of 1 to 6 carbon atoms, alkenyl of 2 to 6 carbon atoms, cycloalkyl of 3 to 8 carbon atoms and benzyl optionally substituted with 1 to 2 members of the group consisting of halogen,methyl and methoxy, R.sub.1 is selected from the group consisting of alkyl and alkoxy of 1 to 3 carbon atoms, R.sub.2 is alkyl of 1 to 3 carbon atoms and X and Z are individually selected from the group consisting of oxygen and sulfur having particularly insecticidal properties but also acaricidal and nematocidal properties.

  式子为##STR1##的新型4-磷酸酯基-5-氰基噻唑，其中R从1到6个碳原子的烷基、2到6个碳原子的烯基、3到8个碳原子的环烷基和苄基中选择，该苄基可选地被1到2个卤素、甲基和甲氧基中的一种或多种取代；R.sub.1从1到3个碳原子的烷基和烷氧基中选择，R.sub.2为1到3个碳原子的烷基，X和Z分别从氧和硫中选择，具有特别的杀虫性能，同时也具有杀螨和杀线虫的性质。
• Heterocyclic compounds and their use as pesticides
  申请人：Imperial Chemical Industries Limited

  公开号：US04082536A1

  公开（公告）日：1978-04-04

  Herbicidal and fungicidal triazinediones of the formula ##STR1## wherein R.sup.1 is an aliphatic group, and either (a) R.sup.2 is carboxylic acyl, or (b) R.sup.2 is hydrogen or aliphatic and R.sup.3 together with the group X forms a divalent radical Z linking the exocyclic nitrogen with the ring to form a second 5 or 6 membered heterocyclic ring, and X is hydrogen or an aliphatic radical, or together with R.sup.3 forms the divalent group Z.

  式子中的除草剂和杀菌剂三嗪二酮的化学式为##STR1##其中R.sup.1是一个脂肪基，而且要么(a) R.sup.2是羧酸酰基，要么(b) R.sup.2是氢或脂肪基，R.sup.3与基团X一起形成一个二价基团Z，将外环氮原子与环连接起来形成第二个5或6元杂环，X是氢或脂肪基，或者与R.sup.3一起形成二价基团Z。