O-cyclohexyl phenylthiocarbamate | 149021-16-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O-cyclohexyl phenylthiocarbamate
• 英文别名: O-cyclohexyl N-phenylcarbamothioate；phenyl-thiocarbamic acid O-cyclohexyl ester；Phenyl-thiocarbamidsaeure-O-cyclohexylester
• CAS: 149021-16-9
• 化学式: C₁₃H₁₇NOS
• 分子量: 235.35
• InChiKey: WYQXLRIZWNEAMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氯(三乙基膦)金(I) 、 O-cyclohexyl phenylthiocarbamate 在 KOH 作用下， 以 乙醇 为溶剂， 以>99的产率得到{triethylphosphinegold(I)-SC(=NPh)OCy}
  参考文献：
  名称：

  Hall, Veronica J.; Siasios, George; Tiekink, Edward R. T., Australian Journal of Chemistry, 1993, vol. 46, # 4, p. 561 - 570

  摘要：

  DOI：
• 作为产物：
  描述：

  环己醇 在 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 O-cyclohexyl phenylthiocarbamate
  参考文献：
  名称：

  Fe 3 O 4 @SiO 2 /席夫碱/ Cu（ii）络合物作为一种有效的可回收磁性纳米催化剂，用于将伯O-烷基硫代氨基甲酸酯和伯O-氨基甲酸氨基酯与芳基卤化物和芳基硼​​酸进行选择性单N芳基化反应†

  摘要：

  用于选择性单一种高效，方便的和新颖的方法Ñ的-arylation初级ø -烷基硫代氨基甲酸盐和初级ö -烷基氨基甲酸酯与芳基卤化物和芳基硼酸在可回收磁性Cu的存在（II）纳米催化剂进行说明。各种单N-芳基化的O-烷基硫代氨基甲酸酯和O氨基甲酸-烷基氨基甲酸酯以良好的收率和优异的收率与广泛的芳基偶联配偶体一起制备。磁性纳米催化剂可以容易地在外部磁场下回收并重复使用至少五次，而不会明显浸出或失去其催化活性。这种具有成本效益和生态友好的方法还具有其他优点，例如易于制备催化剂，简单的后处理程序和易于纯化，这使该方案对于药理学和生物技术系统各个领域的用户而言都很有趣。

  DOI：

  10.1039/c9nj00028c
• 作为试剂：
  描述：

  4-戊烯酸 在 N-溴代丁二酰亚胺(NBS) 、 O-cyclohexyl phenylthiocarbamate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以84%的产率得到5-(溴甲基)二氢呋喃-2(3H)-酮
  参考文献：
  名称：

  Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst

  摘要：

  A novel amino-thiocarbamate-catalyzed bromolactonization of unsaturated carboxylic acids has been developed. The scope of the reaction is evidenced by 22 examples of gamma-lactones with up to 99% yield and 93% ee. The protocol was applied in the enantioselective synthesis of the key intermediates of VLA-4 antagonists.

  DOI：

  10.1021/ja1048972

文献信息

• ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION
  申请人：ASAHI KASEI CHEMICALS CORPORATION

  公开号：US20160016901A1

  公开（公告）日：2016-01-21

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  该发明涉及一种使用有机初级胺和硫脲作为起始原料的异硫氰酸酯生产方法；一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的羰基的当量重量比在1到100的范围内；一种用于运输和储存具有硫脲基团的化合物的组合物，包括具有硫脲基团的化合物和羟基化合物，羟基化合物的羟基与具有硫脲基团的化合物的硫脲基团的当量重量比在1到100的范围内；以及含有异硫氰酸酯和具有特定功能基团的化合物的异硫氰酸酯组合物。
• 이소티오시아네이트를 제조하는 방법, N-치환-O-치환 티오카르바메이트의 이송용 및 저장용 조성물, 그리고 이소티오시아네이트 조성물
  申请人：ASAHI KASEI CHEMICALS CORPORATION 아사히 가세이 케미칼즈 가부시키가이샤(520030402863)

  公开号：KR20150115914A

  公开（公告）日：2015-10-14

  본 발명은, 유기 제1 아민과 티오요소를 원료로 하여 이소티오시아네이트를 제조하는 방법; N-치환-O-치환 티오카르바메이트와 히드록시 화합물을 포함하고, N-치환-O-치환 티오카르바메이트의 카르바메이트기 당량에 대한 히드록시 화합물의 히드록시기 당량의 비가 1∼100의 범위인, N-치환-O-치환 티오카르바메이트의 이송용 및 저장용 조성물; 티오우레이도기를 갖는 화합물과 히드록시 화합물을 포함하고, 티오우레이도기를 갖는 화합물의 티오우레이도기 당량에 대한 히드록시 화합물의 히드록시기 당량의 비가 1∼100의 범위인, 티오우레이도기를 갖는 화합물의 이송용 및 저장용 조성물; 그리고 이소티오시아네이트와 특정 작용기를 갖는 화합물을 함유하는 이소티오시아네이트 조성물에 관한 것이다.

  本发明涉及一种以有机第一胺和硫醇为原料制备异硫氰酸酯的方法；包含N-取代-O-取代硫代碳酸酯和羟基化合物的，N-取代-O-取代硫代碳酸酯的碳酸酯基当量相对于羟基化合物的羟基基当量的比值在1至100范围内的，N-取代-O-取代硫代碳酸酯的输送和储存用组合物；包含具有硫代尿素基团的化合物和羟基化合物的，具有硫代尿素基团的化合物的硫代尿素基团当量相对于羟基化合物的羟基基当量的比值在1至100范围内的，具有硫代尿素基团的化合物的输送和储存用组合物；以及涉及含有异硫氰酸酯和具有特定官能团的化合物的异硫氰酸酯组合物。
• Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation
  作者：Xiancui Zhu、Jinqiang He、Yuanqing Yang、Shuangliu Zhou、Yun Wei、Shaowu Wang

  DOI：10.1039/d2dt02053j

  日期：——

  β-diketiminato rare-earth metal chlorides LRECl(μ-Cl)2Li(THF)2 (RE = Y (1a), Yb (1b), and Lu (1c); L = MeC(NDipp)CHC(Me)N(CH2)2NC4H8O; Dipp = 2,6-iPr2C6H3) and the corresponding dialkyl complexes LRE(CH2SiMe3)2 (RE = Y (2a), Yb (2b), and Lu (2c)) were prepared by reaction of a morpholine-functionalized β-diketiminato proligand HL with anhydrous RECl3 and rare-earth metal trialkyl complexes RE(CH2SiMe3)3(THF)2

  稀有三齿 β-二酮亚胺基稀土金属氯化物L RECl(μ-Cl) 2 Li(THF) 2 (RE = Y ( 1a ), Yb ( 1b ), and Lu ( 1c ); L = MEC(NDipp)CHC( Me)N(CH 2 ) 2 NC 4 H 8 O；Dipp = 2,6- i Pr 2 C 6 H 3 ) 和相应的二烷基配合物L RE(CH 2 SiMe 3 ) 2 (RE = Y ( 2a )， Yb ( 2b ) 和 Lu ( 2c)) 分别通过吗啉功能化的 β-二酮亚氨基前配体 H L与无水RECl 3和稀土金属三烷基络合物 RE(CH 2 SiMe 3 ) 3 (THF) 2反应制备。在1和2中，吗啉部分显示出稳定的椅子构象，并且所得配体以 [NNN]-三齿螯合方式与稀土金属离子配位。进一步的研究表明，这些二烷基配合物在异硫氰酸酯的醇解和环氧化物的氨解中对 C-O 和 C-N
• ISOTHIOCYANATE COMPOSITION
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP3214071A1

  公开（公告）日：2017-09-06

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。
• Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US10308601B2

  公开（公告）日：2019-06-04

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。