4-苯基巯基丁腈 | 35756-39-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 4-苯基巯基丁腈
• 英文名称: 4-(phenylthio)butanenitrile
• 英文别名: 4-Phenylsulfanylbutanenitrile
• CAS: 35756-39-9
• 化学式: C₁₀H₁₁NS
• mdl: MFCD00019895
• 分子量: 177.27
• InChiKey: MPQJVTXMQPTDBY-UHFFFAOYSA-N

物化性质

• 沸点：
  135-137 °C(Press: 0.1 Torr)
• 密度：
  1.0919 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  4-苯基巯基丁腈 在 氢氧化钾 作用下， 生成 4-苯氨磺酰基丁酸
  参考文献：
  名称：

  Cagniant; Deluzarche, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1946, vol. 223, p. 677

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(苯基硫代)-1-丙醇 在 乙醇 、 氯仿 、 三溴化磷 作用下， 生成 4-苯基巯基丁腈
  参考文献：
  名称：

  Cagniant; Deluzarche, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1946, vol. 223, p. 677

  摘要：

  DOI：

文献信息

• Divergent synthesis of functionalized thioethers via multicomponent reaction of benzynes
  作者：Hui Jian、Qiang Wang、Wei-Hua Wang、Zhi-Juan Li、Cheng-Zhi Gu、Bin Dai、Lin He

  DOI：10.1016/j.tet.2018.04.072

  日期：2018.6

  Diverse functionalized thioethers were efficiently synthesized through the multicomponent reaction of benzynes, cyclic thioethers and different nucleophiles. Both inorganic salts (KF, KCl, KBr, and KSCN) and silylated reagents (TMSCN, TMSN3, TMSCl) can be utilized as efficient nucleophiles for the reaction.

  通过苯炔，环状硫醚和不同亲核试剂的多组分反应有效地合成了各种功能化的硫醚。无机盐（KF，KCl，KBr和KSCN）和甲硅烷基化试剂（TMSCN，TMSN 3和TMSC1 ）均可用作反应的有效亲核试剂。
• Transition-metal-free decarboxylative thiolation of stable aliphatic carboxylates
  作者：Wei-Long Xing、De-Guang Liu、Ming-Chen Fu

  DOI：10.1039/d1ra00063b

  日期：——

  transition-metal-free decarboxylative thiolation protocol is reported in which primary, secondary, tertiary (hetero)aryl acetates and α-CN substituted acetates undergo the decarboxylative thiolation smoothly, to deliver a variety of functionalized aryl alkyl sulfides in moderate to excellent yields. Aryl diselenides are also amenable substrates for construction of C–Se bonds under the simple and mild reaction

  报道了一种无过渡金属的脱羧硫醇化方案，其中伯、仲、叔（杂）芳基乙酸酯和α-CN 取代的乙酸酯顺利地进行脱羧硫醇化，以中等至优异的产率提供各种功能化的芳基烷基硫化物。芳基二硒化物也是在简单温和的反应条件下构建 C-Se 键的合适底物。此外，该方案成功应用于药物羧酸盐的后期修饰，具有令人满意的化学选择性和官能团相容性。
• Methlenediphosphonic acid derivatives, and antirheumatic pharmaceutical
  申请人：Sanofi

  公开号：US04876247A1

  公开（公告）日：1989-10-24

  The invention relates to methylenediphosphonic acid derivatives of the formula: ##STR1## in which: R.sub.1 represents: a C.sub.1 -C.sub.6 alkyl group, a C.sub.5 -C.sub.7 cycloalkyl group, a phenyl group optionally monosubstituted or polysubstituted by a halogen, a C.sub.1 -C.sub.6 alkyl group or a trifluoromethyl group, or a 5-membered or 6-membered heterocycle containing 1 or 2 heteroatoms chosen from nitrogen and sulfur, Alk denotes a linear or branched C.sub.1 -C.sub.6 alkylene group, R.sub.2 represents hydrogen, a C.sub.1 -C.sub.6 alkyl group or a --CONH.sub.2 group, R.sub.3 represents hydrogen, a C.sub.1 -C.sub.6 alkyl group, a benzyl group or a phenyl group optionally substituted by chlorine or methyl groups; or alternatively R.sub.2 and R.sub.3, taken together, represent a (CH.sub.2).sub.m group, in which m=4 or 5, and finally n represents 0 or the integer 1 or 2. These derivatives possess antirheumatic properties.

  该发明涉及公式为：##STR1##的亚甲基二磷酸衍生物，其中：R.sub.1代表：C.sub.1-C.sub.6烷基，C.sub.5-C.sub.7环烷基，苯基，可选择单取代或多取代的卤素，C.sub.1-C.sub.6烷基或三氟甲基，或含有1个或2个氮和硫的5元或6元杂环，Alk表示线性或支链C.sub.1-C.sub.6烷基，R.sub.2代表氢，C.sub.1-C.sub.6烷基或--CONH.sub.2基团，R.sub.3代表氢，C.sub.1-C.sub.6烷基，苄基或苯基，可选择氯或甲基取代；或者R.sub.2和R.sub.3一起表示(CH.sub.2).sub.m基团，其中m=4或5，最后n表示0或整数1或2。这些衍生物具有抗风湿性能。
• Nickel-Catalyzed Thiolation and Selenylation of Cycloketone Oxime Esters with Thiosulfonate or Seleniumsulfonate
  作者：Jian Li、Shun-Yi Wang、Shun-Jun Ji

  DOI：10.1021/acs.joc.9b02431

  日期：2019.12.20

  opening and, subsequently, reductive cross-coupling of cycloketone oxime esters with thiosulfonate or seleniumsulfonate are reported, which involves C-C bond cleavage and C(sp3)-S or C(sp3)-Se bond formation. Notably, S-aryl/alkyl sulfonothioates and Se-alkyl seleniumsulfonothioates could be employed in this reaction to afford a variety of 1° and 2° alkyl sulfides, aryl sulfides, and 1° and 2° alkyl selenides

  据报道，镍催化开环，然后环酮肟酯与硫代磺酸盐或硒代磺酸盐的还原性交叉偶联，涉及CC键断裂和C（sp3）-S或C（sp3）-Se键的形成。值得注意的是，在该反应中可以使用S-芳基/烷基磺基硫醚盐和Se-烷基硒基磺基硫磺酸盐，以一步得到多种1°和2°烷基硫化物，芳基硫化物以及1°和2°烷基硒化物。该策略的特点是易于获得的底物和温和的反应条件。
• One-Pot Synthesis of Symmetrical and Unsymmetrical Aryl Sulfides by Pd-Catalyzed Couplings of Aryl Halides and Thioacetates
  作者：Namjin Park、Kyungho Park、Mihee Jang、Sunwoo Lee

  DOI：10.1021/jo2007253

  日期：2011.6.3

  Aryl sulfides were obtained from the coupling reaction of S-aryl (or S-alkyl) thioacetates and aryl bromides in the presence of palladium catalyst. This reaction method enables the one-pot synthesis of symmetrical and unsymmetrical diaryl sulfides by employing potassium thioacetate with aryl iodides and aryl bromides.

  在钯催化剂的存在下，由S-芳基（或S-烷基）硫代乙酸酯与芳基溴化物的偶联反应获得芳基硫化物。通过使用硫代乙酸钾与芳基碘化物和芳基溴化物，该反应方法能够一锅合成对称和不对称的二芳基硫化物。