2-丙磺酰乙腈 | 175137-61-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 2-丙磺酰乙腈
• 中文别名: 1-丙烷磺酰基乙腈；2-(丙基磺酰基)乙腈
• 英文名称: 2-(propylsulfonyl)acetonitrile
• 英文别名: Propanesulfonylacetonitrile；2-propylsulfonylacetonitrile
• CAS: 175137-61-8
• 化学式: C₅H₉NO₂S
• mdl: MFCD00051694
• 分子量: 147.198
• InChiKey: OVGCBSNAUREBIE-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2-丙磺酰乙腈 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 生成 2-(Propylsulfonyl)ethanamine
  参考文献：
  名称：

  Optimization and SAR for dual ErbB-1/ErbB-2 tyrosine kinase inhibition in the 6-furanylquinazoline series

  摘要：

  Synthetic modifications on a 6-furanylquinazoline scaffold to optimize the dual ErbB-1/ErbB-2 tyrosine kinase inhibition afforded consistent SAR whereby a 4-(3-fluorobenzyloxy)-3-haloanilino provided the best enzyme potency and cellular selectivity. Changes made to the 6-furanyl group had little impact on the enzyme activity, but appeared to dramatically affect the cellular efficacy. The discovery of lapatinib emerged from this work. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.090

文献信息

• SUBSTITUTED FURANO-/THIENOCYCLOALKYLAMINO-2-PYRIMIDINE DERIVATIVES AND USE THEREOF FOR CONTROLLING UNDESIRED PLANT GROWTH
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US20180213780A1

  公开（公告）日：2018-08-02

  What are described are compounds of the general formula (I) and agrochemically acceptable salts thereof their use in crop protection and processes for their preparation.

  所描述的是一般式（I）的化合物及其农药可接受的盐，它们在作物保护中的应用以及它们的制备过程。
• Identification of a Potent and Selective 5-HT₆ Antagonist:  One-Step Synthesis of (<i>E</i>)-3-(Benzenesulfonyl)-2- (methylsulfanyl)pyrido[1,2-<i>a</i>]pyrimidin- 4-ylidenamine from 2-(Benzenesulfonyl)-3,3- bis(methylsulfanyl)acrylonitrile
  作者：Yong-Jin Wu、Huan He、Shuanghua Hu、Yazhong Huang、Paul M. Scola、Katharine Grant-Young、Robert L. Bertekap、Dedong Wu、Qi Gao、Yi Li、Cheryl Klakouski、Ryan S. Westphal

  DOI：10.1021/jm034142q

  日期：2003.11.1

  (E)-3-(Benzenesulfonyl)-2-(methylsulfanyl)pyrido[1,2-alpha]pyrimidin-4-ylidenamine (7) was found to be a potent and selective 5-HT6 antagonist. A one-step synthesis of this compound is described.

  (E)-3-(苯zenesulfonyl)-2-（甲基硫anyl）pyrido[1,2-α]pyrimidin-4-ylidenamine（7）被发现是一个强大的且选择性的5-HT6拮抗剂。本研究描述了这一化合物的一步合成方法。
• Substituted 3,3-diamino-2-propenenitriles, their preparation and use
  申请人：——

  公开号：US20010025111A1

  公开（公告）日：2001-09-27

  Substituted cyanoenamines of the general formula I 1 wherein Z, R 1 , R 2 and R 3 are defined in the description, compositions thereof and methods for preparing the compounds are described. The compounds are useful in the treatment of diseases of the central nervous system, the cardiovascular system, the pulmonary system, the gastrointestinal system and the endocrinological system.

  本文描述了一般公式I1的取代氰基烯胺，其中Z、R1、R2和R3在描述中有定义，以及它们的组合物和制备这些化合物的方法。这些化合物在治疗中枢神经系统、心血管系统、肺系统、胃肠系统和内分泌系统的疾病方面是有用的。
• US06362205B1
  申请人：——

  公开号：——

  公开（公告）日：——
• Optimization and SAR for dual ErbB-1/ErbB-2 tyrosine kinase inhibition in the 6-furanylquinazoline series
  作者：Kimberly G. Petrov、Yue-Mei Zhang、Malcolm Carter、G. Stuart Cockerill、Scott Dickerson、Cassandra A. Gauthier、Yu Guo、Robert A. Mook、David W. Rusnak、Ann L. Walker、Edgar R. Wood、Karen E. Lackey

  DOI：10.1016/j.bmcl.2006.05.090

  日期：2006.9

  Synthetic modifications on a 6-furanylquinazoline scaffold to optimize the dual ErbB-1/ErbB-2 tyrosine kinase inhibition afforded consistent SAR whereby a 4-(3-fluorobenzyloxy)-3-haloanilino provided the best enzyme potency and cellular selectivity. Changes made to the 6-furanyl group had little impact on the enzyme activity, but appeared to dramatically affect the cellular efficacy. The discovery of lapatinib emerged from this work. (c) 2006 Elsevier Ltd. All rights reserved.

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