cyclohexyl-phosphoramidic acid dichloride | 13089-54-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: cyclohexyl-phosphoramidic acid dichloride
• 英文别名: Phosphonsaeuredichloridcyclohexylamid；Cyclohexylphosphoramidic dichloride；N-dichlorophosphorylcyclohexanamine
• CAS: 13089-54-8
• 化学式: C₆H₁₂Cl₂NOP
• 分子量: 216.047
• InChiKey: NXFRHOUYTVNNCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cyclohexyl-phosphoramidic acid dichloride 、 巯基乙胺 在 三乙胺 作用下， 以 氯仿 为溶剂， 以18%的产率得到2-cyclohexylamino-2-oxo-1,3,2-thiazaphospholane
  参考文献：
  名称：

  Synthesis of 2-amino-2-oxo-1,3,2-thiazaphospholanes

  摘要：

  DOI：

  10.1007/bf00953501
• 作为产物：
  描述：

  环己胺 在 三氯氧磷 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 cyclohexyl-phosphoramidic acid dichloride
  参考文献：
  名称：

  Synthesis and properties of bis(2,2-dimethylaziridinyl)phosphinic amides: a series of new antineoplastic agents

  摘要：

  In continuation of efforts to improve the antitumor selectivity of the 2,2-dimethylaziridine class of alkylating agents, a series of N-substituted bis(2,2-dimethyl-1-aziridinyl)phosphinic amides has been synthesized and evaluated. All of these compounds (3-15) were tested in vivo against leukemia P-388 in mice, where most of them caused significant increase of survival time at nontoxic dose levels. Some of the most active compounds were also tested against leukemia L1210, B16 melanoma, and colon 26 carcinoma; in the latter tests, the parent unsubstituted amide 3 appeared to show the highest antitumor activity. Since the dose-limiting toxicity of the clinically tested prototypes of this class of anticancer agents AB-132 (1) and AB-163 (2) had been found to be CNS toxicity attributable mainly to the inhibition of cholinesterase, the compounds were tested in vitro against the cholinesterases from horse serum, electric eel, and bovine erythrocytes, as well as in vivo for the inhibition of the cholinesterase present in the whole blood of mice. In all of these assays, the various members of the present series showed a wide range of anticholinesterase activities, ranging from almost zero (for 3) to even higher potency than that of the prototype 2. A similarly wide range of stability was observed toward hydrolytic ring opening of the 2,2-dimethylaziridine moieties. Several of the compounds, particularly 3, deserve further study.

  DOI：

  10.1021/jm00149a025

文献信息

• Phosphoramides: Synthesis, Spectroscopy, and X-ray Crystallography
  作者：Khodayar Gholivand、Zahra Shariatinia、Nasrin Oroujzadeh

  DOI：10.1002/hc.21107

  日期：2013.9

  31P nuclear magnetic resonance (NMR), and infrared (IR) spectroscopy and elemental analysis. The 31P1H} NMR spectra show that among compounds 7–9 containing 2-, 3-, and 4-aminopyridinyl moieties, respectively, the shielding order of the P atom decreases as 7 > 9 > 8. Also, the structure of compound 7 was determined by X-ray crystallography. In this structure, repeated noncentrosymmetric dimers are

  合成了一系列通式为 RP(O)X2 的新型磷酰胺，其中 R = 氨基/对甲基苯氧基，X = 胺，并通过 1H、13C、31P 核磁共振 (NMR) 和红外 (IR) 光谱表征和元素分析。31P1H} NMR 谱表明，在分别含有 2-、3-和 4-氨基吡啶基部分的化合物 7-9 中，P 原子的屏蔽顺序降低为 7 > 9 > 8。此外，化合物的结构7是通过X射线晶体学确定的。在这种结构中，重复的非中心对称二聚体由两个强分子间 N(1)-H(1N)…N(2) 和 N(3)-H(3N)…O(1) 氢键形成。考虑到弱分子间 C(17)-H(17C)…N(4), C(17)-H(17E)…N(4), C(2)-H(2A)…O(2),以及弱芳香族 C-H…C 相互作用，在晶体网络中创建了一个三维聚合物链。使用 6-31+G** 基组在 B3LYP、B3PW91 和 M06 水平上的密度泛函理论计算与 X
• Novel N-aliphatic and N,N-aliphatic phosphoric triamide urease inhibitors and urease inhibited urea based fertilizer compositions
  申请人：ALLIED CORPORATION

  公开号：EP0119487A1

  公开（公告）日：1984-09-26

  The invention relates to novel urease inhibited fertilizer. compositions containing urea and a urease inhibiting amount of one or more phosphoric triamide compounds, and methods and composition for inhibiting the urease catalyzed hydrolysis of urea through use of such compounds.

  本发明涉及新型脲酶抑制肥料，包括含有尿素和脲酶抑制量的一种或多种磷酸三酰胺化合物的组合物，以及通过使用此类化合物抑制脲酶催化的尿素水解的方法和组合物。
• Cyclic organophosphorus compounds: XVII—the mass spectra of some 5,5-dimethyl-perhydro-1,3,2-oxazaphosph(v)orines
  作者：R. S. Edmundson

  DOI：10.1002/oms.1210171106

  日期：1982.11

  AbstractThe electron impact mass spectra of six 5,5‐dimethyl and eleven 3,5,5‐trimethyl‐perhydro‐1,3,2‐oxazaphosphorine 2‐oxides and 2‐sulphides are reported and compared with those of analogous 5,5‐dimethyl‐1,3,2‐dioxaphosph(v) orinans. Compounds of the 3,5,5‐trimethyl series produce an important ion at m/z 44 which clearly distinguishes them from the 5,5‐dimethyl series. The 2‐sulphides are characterized by loss of thiol radical rather than of sulphur; in the case of 2‐cyclohexylamino‐3,5,5‐trimethyl‐perhydro‐1,3,2‐oxazaphosphorine 2‐sulphide at least, the thiol hydrogen is derived from the oxazaphosphorine ring NCH2 group. Fission of the oxazaphosphorine ring occurs largely, but apparently not exclusively, at the POC linkages.
• Dorn,H.; Welfle,H., Journal fur praktische Chemie (Leipzig 1954), 1971, vol. 313, p. 218 - 228
  作者：Dorn,H.、Welfle,H.

  DOI：——

  日期：——
• Dorn,H.; Walter,K., Zeitschrift fur Chemie, 1971, vol. 11, p. 173
  作者：Dorn,H.、Walter,K.

  DOI：——

  日期：——