(NE)-N-(3,3-二甲基-1-甲硫基丁烷-2-亚基)羟胺 | 39195-82-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (NE)-N-(3,3-二甲基-1-甲硫基丁烷-2-亚基)羟胺
• 英文名称: 3,3-dimethyl-1-methylsulfanyl-butan-2-one oxime
• 英文别名: 1-(methylthio)methyl-2,2-dimethyl propionaldoxime；3,3-dimethyl-1-methylthio-2-butane oxime；1-Methylthio-3,3-dimethyl-2-butanone oxime；N-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
• CAS: 39195-82-9
• 化学式: C₇H₁₅NOS
• 分子量: 161.268
• InChiKey: WMNXDZQBHMQKLX-UHFFFAOYSA-N

物化性质

• 密度：
  1.0400 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (NE)-N-(3,3-二甲基-1-甲硫基丁烷-2-亚基)羟胺 、 异氰酸甲酯 在 三乙胺 作用下， 以 丙酮 为溶剂， 生成 久效威
  参考文献：
  名称：

  Method of preparing ketoxime carbamates

  摘要：

  制备酮肟氨基甲酸酯的新工艺。

  公开号：

  US04234514A1
• 作为产物：
  描述：

  3,3-二甲基-1-甲硫基丁烷-2-酮 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 生成 (NE)-N-(3,3-二甲基-1-甲硫基丁烷-2-亚基)羟胺
  参考文献：
  名称：

  Rh/DuanPhos-Catalyzed Asymmetric Hydrogenation of β-Acetylamino Vinylsulfides: An Approach to Chiral β-Acetylamino Sulfides

  摘要：

  Rh/DuanPhos-catalyzed asymmetric hydrogenation of challenging beta-acetylamino vinylsulfides has been developed; affording chiral beta-acetylamino, sulfides with high yield's and excellent ee's (up to, 99% ee). This novel methodology provides an efficient and' concise, synthetic route, to chiral beta-acetylamino sulfides. The potential utility of this protocol in the synthesis of Apremilast has also been disclosed.

  DOI：

  10.1021/acs.orglett.7b01115

文献信息

• Ketoxime carbamates
  申请人：Diamond Shamrock Corporation

  公开号：US04215075A1

  公开（公告）日：1980-07-29

  Carbamate derivatives of ketoximes are useful in combating pests such as insects, mites, and nematodes.

  羰酸酯类化合物对抗昆虫、螨和线虫等害虫具有一定的作用。
• N-Aminosulfenyl carbamate compounds, compositions and use
  申请人：Union Carbide Corporation

  公开号：US04315928A1

  公开（公告）日：1982-02-16

  A novel class of N-aminosulfenyl carbamate compositions have outstanding insecticidal and miticidal properties coupled with very low toxicity to mammals and important economic crops.

  一种新型的N-氨基硫酰基氨基甲酸酯组合物具有优异的杀虫和杀螨性能，同时对哺乳动物和重要经济作物的毒性非常低。
• CH611275
  申请人：——

  公开号：——

  公开（公告）日：——
• Mass spectral characteristics of the sulfur-containing ketoxime carbamates thiofanox and metabolites
  作者：H. G. Corkins、J. J. Mannion、L. Storace

  DOI：10.1002/oms.1210150406

  日期：1980.4

  AbstractDeuterium labeling and high resolution mass spectroscopy have been used to determine the modes of electron impact fragmentation of 3,3‐dimethyl‐1‐methylthio‐2‐butanone O‐[(methylamino)carbonyl]oxime, thiofanox and its metabolites, the sulfoxide and sulfone. The mass spectra of the corresponding oximes were also examined. The carbamates fragmented chiefly by two competing pathways—the loss of CH3NCO or the sulfur‐containing moiety. The favored process was dependent on the oxidation state at sulfur. Several unusual rearrangements were noted.
• Rh/DuanPhos-Catalyzed Asymmetric Hydrogenation of β-Acetylamino Vinylsulfides: An Approach to Chiral β-Acetylamino Sulfides
  作者：Wenchao Gao、Hui Lv、Xumu Zhang

  DOI：10.1021/acs.orglett.7b01115

  日期：2017.6.2

  Rh/DuanPhos-catalyzed asymmetric hydrogenation of challenging beta-acetylamino vinylsulfides has been developed; affording chiral beta-acetylamino, sulfides with high yield's and excellent ee's (up to, 99% ee). This novel methodology provides an efficient and' concise, synthetic route, to chiral beta-acetylamino sulfides. The potential utility of this protocol in the synthesis of Apremilast has also been disclosed.