2,3-二溴异硫氰酸丙酯 | 51784-10-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 中文名称: 2,3-二溴异硫氰酸丙酯
• 英文名称: 2,3-dibromopropyl isothiocyanate
• 英文别名: 1,2-dibromo-3-isothiocyanatopropane
• CAS: 51784-10-2
• 化学式: C₄H₅Br₂NS
• 分子量: 258.964
• InChiKey: AFQQAAKQKFCSPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  271.8±30.0 °C(Predicted)
• 密度：
  1,96 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  KEEP COLD, LACHRYMATOR, TOXIC
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2,3-二溴异硫氰酸丙酯 在 氨 作用下， 生成 2-amino-5-bromomethylthiazoline hydrobromide
  参考文献：
  名称：

  Dixon, Journal of the Chemical Society, 1896, vol. 69, p. 34

  摘要：

  DOI：
• 作为产物：
  描述：

  天然芥菜籽油 在 溴 作用下， 生成 2,3-二溴异硫氰酸丙酯
  参考文献：
  名称：

  Fedoseev,V.M.; Litvinov,L.N., Journal of general chemistry of the USSR, 1964, vol. 34, # 2, p. 558 - 560

  摘要：

  DOI：

文献信息

• Synthesis, characterization, and antibacterial activity of some thiazoles derived from allyl thioureas
  作者：R. Khare、J. Sharma、A. Sharma

  DOI：10.1134/s1070363216030312

  日期：2016.3

  Synthesis of thiazoles was carried out from allyl thioureas using different cyclizing agents such as hydrogen chloride gas and bromine. Synthesized compounds were characterized by IR, 1H and 13C NMR, mass spectrometry, and elemental analysis. The synthesized thiazoles were evaluated for their antibacterial activity against Gram postitive (Lactobacillus bulgaris and Streptococcus mitis) and Gram negative

  噻唑的合成是使用不同的环化剂，例如氯化氢气体和溴，从烯丙基硫脲进行的。通过IR，1 H和13 C NMR，质谱和元素分析对合成的化合物进行表征。评价合成的噻唑对革兰氏阳性（保加利亚乳杆菌和链球菌）和革兰阴性（耶尔森氏菌）的抗菌活性，以及​​对黑曲霉真菌的抑菌活性。
• Synthesis, Structure and Molecular Docking of New 4,5-Dihydrothiazole Derivatives Based on 3,5-Dimethylpyrazole and Cytisine and Salsoline Alkaloids
  作者：Marat K. Ibrayev、Oralgazy A. Nurkenov、Zhanar B. Rakhimberlinova、Altynaray T. Takibayeva、Irina V. Palamarchuk、Dastan M. Turdybekov、Assel A. Kelmyalene、Ivan V. Kulakov

  DOI：10.3390/molecules27217598

  日期：——

  and salsoline alkaloids were presented in this paper. It was shown that the reaction resulted in one one-step and rather mild method for the preparation of the corresponding 1,3-thiazoline bromomethyl derivatives. The yield of this reaction was affected by the presence of a base and an order in which reagents were added. Molecular docking of the synthesized 1,3-thiazoline derivatives for putative antibacterial

  本文介绍了 1,2-二溴-3-异硫氰基丙烷与某些吡唑类化合物以及金雀花碱和槐碱生物碱的相互作用结果。结果表明，该反应是一种一步法且相当温和的方法，用于制备相应的 1,3-噻唑啉溴甲基衍生物。该反应的产率受碱的存在和试剂添加顺序的影响。使用细菌大肠杆菌“智人”和金黄色葡萄球菌的青霉素结合靶蛋白 (PBP4) 对合成的 1,3-噻唑啉衍生物进行分子对接以获得假定的抗菌活性以“智人”为例。分子对接表明，这些化合物在所选参考药物（头孢菌素和氯霉素）的水平上具有微不足道的结合能。噻唑啉衍生物结构中天然生物碱的存在在一定程度上增加了这些底物对所选靶蛋白的亲和力。
• Ten Ways to Reduce Detention Population
  作者：JUDGE LINDSAY G. ARTHUR

  DOI：10.1111/j.1755-6988.2001.tb00036.x

  日期：2001.1

  ABSTRACT“Juvenile detention is regularly overlooked, maligned, and misunderstood. Its embattled condition is best described as severely abused and neglected. It is underfunded, understaffed, crowded and largely ignored.”1“Detention caseloads increased 38 percent between 1987 and 1996. The increase in the number of delinquency cases handled by the courts has driven the growth in the number of juveniles in the detention system. In 1987, 1.2 million delinquency cases were disposed of in juvenile courts. By 1996, this number had risen 49 percent, to almost 1.8 million. This increase in the volume of juveniles in the justice system resulted in a 38 percent increase in the number of delinquency cases that involved the use of detention. The number of juvenile delinquency cases detained in 1996 was 89,000 more than in 1987. This has resulted in increased demand for juvenile detention bed space across the country.”2“Changes in statutes allowing more detainable offenses have significantly increased the number of youths admitted to regional detention centers.”3“Although minority youth constituted about 32 percent of the youth population in the country in 1995, they represented 68 percent of the juvenile population in secure detention…4
• Dixon, Journal of the Chemical Society, 1892, vol. 61, p. 510
  作者：Dixon

  DOI：——

  日期：——
• Khripak,S.M.; Smolanka,I.V., Soviet progress in chemistry, 1971, vol. 37, # 1, p. 94 - 95
  作者：Khripak,S.M.、Smolanka,I.V.

  DOI：——

  日期：——

表征谱图