3-(t-butyl)sydnone | 6939-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-(t-butyl)sydnone
• 英文别名: 3-tert-butyl-sydnone；3-(1,1-dimethylethyl)sydnone；3-tert.-Butyl-sydnon；3-tert-Butyl-sydnon；N-tert.Butylsydnon；3-tert-Butylsydnone；3-tert-butyloxadiazol-3-ium-5-olate
• CAS: 6939-25-9
• 化学式: C₆H₁₀N₂O₂
• 分子量: 142.158
• InChiKey: YPJWMANOXFBBFC-UHFFFAOYSA-N

物化性质

• 熔点：
  168-170 °C(Solv: ethyl ether (60-29-7))

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(t-butyl)sydnone 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 叔丁基肼
  参考文献：
  名称：

  Prochazka,M. et al., Collection of Czechoslovak Chemical Communications, 1971, vol. 36, p. 2640 - 2647

  摘要：

  DOI：
• 作为产物：
  描述：

  N-T-丁基甘氨酸 钠盐 在 盐酸 、 三氟乙酸酐 、 sodium nitrite 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 3-(t-butyl)sydnone
  参考文献：
  名称：

  9,10-二氮杂四环-[6.3.0.0。的合成和反应。4,11 0. 5,9 ]十一烷†

  摘要：

  sydnones和1,5-环辛二烯之间的串联1,3-偶极环加成反应可提供9,10-二氮杂四环[6.3.0.0。]。4,11 0. 5,9 ]十一烷（Weintraub反应）适度至良好收率。

  DOI：

  10.1002/jhet.5570330333

文献信息

• Synthesis and reactions of 9,10-diazatetracyclo-[6.3.0.0.^4,110.^5,9]undecanes
  作者：Gordon W. Gribble、Bradford H. Hirth

  DOI：10.1002/jhet.5570330333

  日期：1996.5

  The tandem 1,3-dipolar cycloaddition between sydnones and 1,5-cyclooctadiene provides 9,10-diazatetracyclo[6.3.0.0.4,110.5,9]undecanes (the Weintraub reaction) in modest to good yields.

  sydnones和1,5-环辛二烯之间的串联1,3-偶极环加成反应可提供9,10-二氮杂四环[6.3.0.0。]。4,11 0. 5,9 ]十一烷（Weintraub反应）适度至良好收率。
• [EN] HETEROYCLYLPHENYL-AND HETEROCYCLYLPYRIDYL-SUBSTITUTED AZOLECARBOXAMIDES AS HERBICIDES<br/>[FR] AZOLECARBOXAMIDES SUBSTITUES PAR HETEROCYCLYLPHENYLE ET HETEROCYCLYLPYRIDILE
  申请人：DU PONT

  公开号：WO2005040152A1

  公开（公告）日：2005-05-06

  Compounds of Formula (I), and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation : wherein (J) is (J-1), (J-2), (J-3), (J-4), (J-5), (J-6), (J-7), (J-8), or (J-9) ; R5 is a phenyl ring or a 5- or 6-membered heteroaromatic ring which includes at least one heteroatom selected from N, O and S, each ring optionally substituted with one or more substituents selected from R15; or R5 is a 5- or 6-membered partially unsaturated heterocyclic ring which includes at least one heteroatom selected form N, O and S, the ring connected through a nitrogen atom or an sp2 carbon atom to the remainder of Formula (I) and optionally substituted by one or more substituents selected from R16; and R1a, R1b, R2a, R2b, R3, R4, R15, R16, T, U, W, Y and Z are as defined in the disclosure.

  公式（I）的化合物及其N-氧化物和农业适用盐已被披露，可用于控制不受欢迎的植被：其中（J）为（J-1）、（J-2）、（J-3）、（J-4）、（J-5）、（J-6）、（J-7）、（J-8）或（J-9）；R5为苯环或含有N、O和S中至少一个杂原子的5-或6-成员杂芳环，每个环可以选择性地取代一个或多个R15所选取的取代基；或者R5为包含至少一个N、O和S中选取的杂原子的5-或6-成员部分不饱和杂环，该环通过氮原子或sp2碳原子连接到公式（I）的其余部分，并可以选择性地取代一个或多个R16所选取的取代基；而R1a、R1b、R2a、R2b、R3、R4、R15、R16、T、U、W、Y和Z的定义如披露中所述。
• Design, docking studies and molecular iodine catalyzed synthesis of benzo[a]xanthen-one derivatives as hyaluronidase inhibitors
  作者：Mahadev N. Kumbar、Ravindra R. Kamble、Atulkumar A. Kamble、Shrinivas D. Joshi、Sheshagiri R. Dixit、Joy Hoskeri

  DOI：10.1007/s00044-016-1655-2

  日期：2016.11

  A series of novel benzo[a]xanthen-11(12H)-one derivatives 4a–m were designed and subjected to docking studies. The title compounds were synthesized from 3-aryl-4-formylsydnones 1a–m, β-naphthol and dimedone in presence of molecular iodine as a catalyst and evaluated for their in vitro inhibitory effects on the hyaluronidase.

  设计了一系列新颖的苯并[ a ]黄体酮11（12 H）-一衍生物4a - m并进行了对接研究。由3-芳基-4-甲酰基sydnones 1a – m，β-萘酚和二甲酮在分子碘作为催化剂的条件下合成标题化合物，并对其在体外对透明质酸酶的抑制作用进行了评估。
• Studies on mesoionic compounds—IV
  作者：K. Masuda、T. Okutani

  DOI：10.1016/s0040-4020(01)97015-2

  日期：1974.1

  Various 4-methylthiosydnones were prepared by the reaction of 3-substituted sydnones with DmSO and acetyl chloride, while the reaction with methyl phenyl sulfoxide and acetyl chloride gave 4-chlorosydnones. Treatment of 3-substituted sydnones with DmSO and methyl phenyl sulfoxide together with acetyl perchlorate, followed by refluxing with aqueous potassium chloride gave 4-methylthio- and 4-phenylthiosydnones

  通过3-取代的sydnones与DmSO和乙酰氯的反应来制备各种4-甲基硫酮，同时与甲基苯基亚砜和乙酰氯的反应得到4-氯sydnones。用DmSO和甲基苯基亚砜与高氯酸乙酰酯一起处理3-取代的丁酮，然后与氯化钾水溶液回流，分别通过相应的4-二甲基-和4-甲基苯基-高氯酸盐分别得到4-甲基硫代和4-苯基硫代丁酮。用过氧化氢氧化4-甲基硫代syndones得到4-甲基亚磺酰基-和4-甲基磺酰基sydnones。
• Azolecarboxamide herbicides
  申请人：Armel Russell Gregory

  公开号：US20060069132A1

  公开（公告）日：2006-03-30

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation and R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , T, U, W, Y and Z are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling undesired vegetation which involves contacting the vegetation or its environment with an effective amount of a compound of Formula I. Also disclosed are mixtures and compositions comprising a herbicidally effective amount of a compound of Formula Iz wherein J, R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , T, U, W, Y and Z are as defined in the disclosure; and an effective amount of another herbicide or herbicide safener. Also disclosed is a method for selectively controlling undesired vegetation in a crop that involves contacting the locus of a crop with an effective amount of a compound of Formula Iz and a effective amount of a safener.

  公开了化学式I的化合物及其N-氧化物和适用于农业的盐，其可用于控制不良杂草，其中R1a，R1b，R1c，R2a，R2b，R3，R4，R5，T，U，W，Y和Z如披露所定义。还公开了含有化学式I的化合物的组合物以及一种控制不良杂草的方法，该方法涉及将化合物I与植物或其环境的有效量接触。还公开了混合物和组合物，包括化学式Iz的除草有效量，其中J，R1a，R1b，R1c，R2a，R2b，R3，R4，R5，T，U，W，Y和Z如披露所定义;以及另一种除草剂或除草剂安全剂的有效量。还公开了一种用于选择性控制作物中不良杂草的方法，该方法涉及将化学式Iz的有效量和安全剂的有效量与作物的部位接触。