苯硫代甲酰肼 | 20605-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯硫代甲酰肼
• 英文名称: thiobenzoylhydrazine
• 英文别名: benzothiohydrazide；thiobenzhydrazide；thiobenzoic hydrazide；phenylthiohydrazide；thiobenzoylhydrazide；benzenecarbothiohydrazide
• CAS: 20605-40-7
• 化学式: C₇H₈N₂S
• mdl: MFCD00463358
• 分子量: 152.22
• InChiKey: PNALOBAQBMAHBZ-UHFFFAOYSA-N

物化性质

• 熔点：
  81-82 °C
• 沸点：
  266.7±23.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P310+P330,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H315,H319,H335
• 储存条件：
  储存条件：2-8℃，避光，惰性气体保护。

制备方法与用途

生物活性方面，苯并噻唑氢亚胺（Benzothiohydrazide）是异烟肼（Isoniazid）的一种类似物，具有抗结核活性。其对结核分枝杆菌野生型和临床突变株（IC1 和 IC2）的最小抑菌浓度分别为 132 μM 和 264 μM。

反应信息

• 作为反应物：
  描述：

  苯硫代甲酰肼 在 氢氧化钾 、 sodium hydroxide 作用下， 生成 3-甲基-5-苯基-1H-吡唑-4-羧酸
  参考文献：
  名称：

  Sandstroem, Arkiv foer Kemi, 1956, vol. 8, p. 487,502

  摘要：

  DOI：
• 作为产物：
  描述：

  苯二硫代甲酸 在 肼 作用下， 生成 苯硫代甲酰肼
  参考文献：
  名称：

  Wuyts; Lacourt, Bulletin des Societes Chimiques Belges, 1936, vol. 45, p. 685,692

  摘要：

  DOI：

文献信息

• TiCl₄ mediated facile synthesis of 1,3,4-oxadiazoles and 1,3,4-thiadiazoles
  作者：Lin Zhang、Yu Yu、Qiang Tang、Jianyong Yuan、Dongzhi Ran、Binghua Tian、Tao Pan、Zongjie Gan

  DOI：10.1080/00397911.2019.1700521

  日期：2020.2.1

  Abstract An efficient method for the synthesis of 2,5-disubstituted 1,3,4-oxadiazoles and 1,3,4-thiadiazoles has been developed. Various hydrazides or thionyl hydrazides readily react with DMA derivatives in the presence of TiCl4 as a catalyst to afford the desired products. This protocol provides a simple and economical procedure that affords the target products with good yields and wide substrate

  摘要 开发了一种合成2,5-二取代1,3,4-恶二唑和1,3,4-噻二唑的有效方法。在作为催化剂的 TiCl4 存在下，各种酰肼或亚硫酰酰肼很容易与 DMA 衍生物反应，得到所需的产物。该协议提供了一种简单且经济的程序，可提供具有良好产量和广泛底物范围的目标产品。图形概要
• Synthesis of cephalosporins with substituted thiadiazoles directly attached to the C3-position. I. Synthesis of 3-(5-substituted-1,3,4-thiadiazol-2-yl)ceph-3-em derivatives.
  作者：TOHRU SUGAWARA、HIROTOMO MASUYA、TAISUKE MATSUO、TAKUICHI MIKI

  DOI：10.1248/cpb.28.2116

  日期：——

  3-(5-Substituted-1, 3, 4-thiadiazol-2-yl) ceph-3-em derivatives were prepared by oxidative ring closure with 2, 3-dichloro-5, 6-dicyanobenzoquinone directly or after acetylation of 3-thiocarbonylhydrazones, which were obtained from the reaction of 3-formylceph-3-ems and thiocarbonylhydrazines. The antibacterial activity of 7-thienylacetamido-3-(5-substituted-1, 3, 4-thiadiazol-2-yl) ceph-3-em derivatives (4) against gram-positive organisms was similar to that of cephalothin (CET), while the activity against gram-negative organisms was superior to that of CET. A similar oxidative ring closure reaction with other thiocarbonylhydrazones is also discussed.

  通过氧化环合反应，以2,3-二氯-5,6-二氰基苯醌直接或先经乙酰化3-硫羰基腙制得了3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物。这些3-硫羰基腙是从3-醛基头孢-3-烯和硫羰基酰肼反应得到的。7-噻吩基乙酰胺基-3-(5-取代-1,3,4-噻二唑-2-基)头孢-3-烯衍生物(4)对革兰氏阳性菌的抗菌活性与头孢噻吩(CET)相似，而对革兰氏阴性菌的活性则优于CET。还讨论了与其他硫羰基腙的类似氧化环合反应。
• HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：MOORE JOEL D.

  公开号：US20080269228A1

  公开（公告）日：2008-10-30

  The present invention relates to novel hydrazide-containing compounds of Formula I or Formula II, including pharmaceutically acceptable salts, esters, or prodrugs thereof which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及式I或式II的新型含酰肼化合物，包括抑制丝氨酸蛋白酶活性的药物可接受的盐、酯或前药，尤其是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且还作为抗病毒剂是有用的。本发明进一步涉及包含上述化合物的药物组合物，用于给患有HCV感染的对象进行给药。本发明还涉及通过管理包含本发明化合物的药物组合物来治疗对象中的HCV感染的方法。
• Palladium-catalyzed one-pot synthesis of diazoles via tert-butyl isocyanide insertion
  作者：Xiang-Yuan Fan、Xiao Jiang、Ying Zhang、Zhen-Bang Chen、Yong-Ming Zhu

  DOI：10.1039/c5ob01328c

  日期：——

  An efficient one-pot palladium-catalyzed reaction for the synthesis of diazoles from readily available hydrazides and aryl halide via isocyanide insertion/cyclization sequence has been developed.

  已经开发出一种高效的钯催化的单锅反应，用于从易于获得的肼酯和芳基卤化物通过异氰插入/环化序列合成哒唑。

• [EN] CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME<br/>[FR] COMPOSÉS CYCLOHEXANONES ET HERBICIDES LES COMPRENANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2014084410A1

  公开（公告）日：2014-06-05

  The present invention provides a compound having an excellent efficacy for controlling weeds. A cyclohexanone compound of formula (I): wherein n is an integer of any one of 1 to 5; R1 represents a hydrogen atom or a methyl group; R2 and R3 represent a hydrogen atom, an C1-6 alkyl group and the like; Q represents a group of either the following formulae: R4 represents an C1-6 aryl group or a five- to six- membered heteroaryl group; G represents a hydrogen atom and the like; and Z represents a halogen atom, a cyano group, a nitro group, a phenyl group, an C1-6 alkyl group and the like, is useful as an active ingredient for herbicides.

  本发明提供了一种对控制杂草具有优异功效的化合物。式（I）的环己酮化合物：其中n是1到5中的任意整数；R1代表氢原子或甲基基团；R2和R3代表氢原子、C1-6烷基基团等；Q代表以下式之一的基团：R4代表C1-6芳基或五元至六元杂芳基；G代表氢原子等；Z代表卤素原子、氰基、硝基、苯基、C1-6烷基基团等，可用作除草剂的活性成分。