2-氯-N,N-二苯基盐酸乙脒 | 40403-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-N,N-二苯基盐酸乙脒
• 英文名称: N,N'-diphenylchloroacetamidine
• 英文别名: N,N'-Diphenyl-chlor-acetamidin；2-chloro-N,N'-diphenylethanimidamide
• CAS: 40403-43-8
• 化学式: C₁₄H₁₃ClN₂
• mdl: MFCD06660491
• 分子量: 244.724
• InChiKey: VFLWOCZDHNWJLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85 °C(Solv: ligroine (8032-32-4))
• 沸点：
  392.5±34.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  2-氯-N,N-二苯基盐酸乙脒 、 sodium N,N-diethyldithiocarbamate 以 乙醇 为溶剂， 反应 0.5h， 以70%的产率得到Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester
  参考文献：
  名称：

  S-[(N,N'-Diarylamidino)methyl] diethyldithiocarbamates and related amides as potential radioprotectants

  摘要：

  A series of symmetrically and unsymmetrically N,N'-diaryl-substituted amidinomethyl diethyldithiocarbamates and corresponding amides have been synthesized and tested for potential radioprotective activity. Antiradiation data for 10 amidines are presented. Half of the amidines showed low toxicity and radioprotective activity, based on both protective index (PI) and 30-day survival (greater than 35%) after lethal irradiation (800-rad X-rays). All (N-arylcarbamoyl)methyl diethyldithiocarbamates investigated were nonprotective.

  DOI：

  10.1021/jm00387a024
• 作为产物：
  描述：

  2-氯乙酰苯胺 、 苯胺 生成 2-氯-N,N-二苯基盐酸乙脒
  参考文献：
  名称：

  The Synthesis of Derivatives of α-Mercaptoamidines^1,2

  摘要：

  DOI：

  10.1021/jo01059a060

文献信息

• Benzo(b)thiophene derivatives
  申请人：Warner-Lambert Company

  公开号：US03971814A1

  公开（公告）日：1976-07-27

  The present invention relates to novel benzo(b)thiophene derivatives of the general formula: ##SPC1## Wherein Y represents a hydrogen or halogen atom; A represents a hydrogen atom or a phenyl group which may be substituted with a halogen atom or a lower alkoxy group; B represents a radical of the formula OR' or NR.sup.2 R.sup.3, wherein R' is an alkyl radical of 1 to 5 carbons which may be substituted with hydroxy, lower alkoxy, phenyl or phenoxy groups or a cycloalkyl or phenyl group which may be substituted by lower alkoxy or halogen atoms; R.sup.2 and R.sup.3, which may be identical or different, represent, if identical, hydrogen, alkyl radicals of 1 to 5 carbon atoms which may be substituted by hydroxy, lower alkoxy, phenoxy, di-lower alkylamino, or phenyl groups; or, if R.sup.2 is hydrogen, R.sup.3 represents either a hydroxyl or an amino group which may be substituted by lower alkyl, dialkyl, alkylidene, phenyl of acyl groups or a lower alkyl group which may be substituted by hydroxy, lower alkoxy, phenoxy, dialkylamino, pyrrolidino, piperidino or morpholino groups; R.sup.3 further is a cycloalkyl or phenyl group, which may be substituted by a halogen or a lower alkoxy radical; or R.sup.2 and R.sup.3 together with the nitrogen atom to which they are attached, may form an aziridine, pyrrolidine, piperidine, morpholine or piperazine ring which may be substituted by lower alkyl, hydroxyalkyl, phenylalkyl, phenyl or acetyl groups; or A and B together with the C=N group may form a 5, 6, or 7-membered heterocyclic ring.

  本发明涉及一般式如下的新型苯并(b)噻吩衍生物：##SPC1## 其中Y代表氢或卤素原子；A代表氢原子或苯基，该苯基可以被卤素原子或较低的烷氧基取代；B代表OR'或NR.sup.2 R.sup.3的基团，其中R'是1至5碳原子的烷基基团，可以被羟基、较低的烷氧基、苯基或苯氧基基团取代，或者是可以被较低烷氧基或卤素原子取代的环烷基或苯基基团；R.sup.2和R.sup.3，如果相同，则代表氢、1至5碳原子的烷基基团，可以被羟基、较低烷氧基、苯氧基、二较低烷基氨基或苯基基团取代；或者如果R.sup.2是氢，则R.sup.3代表可以被较低烷基、二烷基、烷基亚胺、苯基或酰基基团取代的羟基或氨基基团，或者是可以被羟基、较低烷氧基、苯氧基、二烷基氨基、吡咯烷基、哌啶基或吗啉基团取代的较低烷基基团；R.sup.3还是一个环烷基或苯基基团，可以被卤素或较低烷氧基取代；或者R.sup.2和R.sup.3与它们连接的氮原子一起，可以形成一个可以被较低烷基、羟基烷基、苯基烷基、苯基或乙酰基团取代的氮杂环己烷、咪唑烷、哌啶烷、吗啉环或哌嗪环；或者A和B连同C=N基团可以形成一个5、6或7元杂环。
• Benzo (b) thiophene derivatives
  申请人：Warner-Lambert Company

  公开号：US04018793A1

  公开（公告）日：1977-04-19

  The present invention relates to novel benzo(b)thiophene derivatives of the general formula: ##STR1## wherein Y represents a hydrogen or halogen atom; A represents a hydrogen atom or a phenyl group which may be substituted with a halogen atom or a lower alkoxy group; B represents a radical of the formula OR' or NR.sup.2 N.sup.3, wherein R' is an alkyl radical of 1 to 5 carbons which may be substituted with hydroxy, lower alkoxy, phenyl or phenoxy groups or a cycloalkyl or phenyl group which may be substituted by lower alkoxy or halogen atoms; R.sup.2 and R.sup.3, which may be identical or different, represent, if identical, hydrogen, alkyl radicals of 1 to 5 carbon atoms which may be substituted by hydroxy, lower alkoxy, phenoxy, di-lower alkylamino, or phenyl groups; or, if R.sup.2 is hydrogen, R.sup.3 represents either a hydroxyl or an amino group which may be substituted by lower alkyl, dialkyl, akylidene, phenyl or acyl groups or a lower alkyl group which may be substituted by hydroxy, lower alkoxy, phenoxy, dialkylamino, pyrrolidino, piperidino or morpholino groups; R.sup. 3 further is a cycloalkyl or phenyl group, which may be substituted by a halogen or a lower alkoxy radical; or R.sup.2 and R.sup.3 together with the nitrogen atom to which they are attached, may form an aziridine, pyrrolidine, piperidine, morpholine or piperazine ring which may be substituted by lower alkyl, hydroxyalkyl, phenylalkyl, phenyl or acetyl groups; or A and B together with the C=N group may form a 5, 6, or 7-membered heterocyclic ring. The present invention further relates to the processes for the preparation of these derivatives and to the salts of these compounds with physiologically acceptable inorganic and organic acids such as hydrochloric acid, sulfuric acid, phosphoric acid, fumaric acid, oxalic acid, citric acid, etc., and the quaternary ammonium compounds.

  本发明涉及一种新型苯并(b)噻吩衍生物，其通式为：##STR1## 其中，Y代表氢原子或卤素原子；A代表氢原子或苯基，可以用卤素原子或较低的烷氧基取代；B代表OR'或NR.sup.2N.sup.3的基团，其中R'是1到5个碳原子的烷基基团，可以用羟基、较低的烷氧基、苯基或苯氧基基团或可以用较低的烷氧基或卤素原子取代的环烷基或苯基基团取代；R.sup.2和R.sup.3，如果相同，则表示氢原子、1到5个碳原子的烷基基团，可以用羟基、较低的烷氧基、苯氧基、二较低的烷基氨基或苯基基团取代；或者，如果R.sup.2是氢原子，则R.sup.3表示可以用较低的烷基、二烷基、烷基亚烯基、苯基或酰基基团取代的羟基或氨基基团或可以用羟基、较低的烷氧基、苯氧基、二烷基氨基、吡咯烷基、哌啶基或吗啉基取代的较低的烷基基团；R.sup.3还是一个环烷基或苯基，可以用卤素或较低的烷氧基基团取代；或R.sup.2和R.sup.3与它们所连接的氮原子一起，可以形成一个可以用较低的烷基、羟基烷基、苯基烷基、苯基或乙酰基基团取代的氮杂环戊烷、六元环或七元环；或A和B与C=N基团一起可以形成一个5、6或7元杂环。本发明还涉及制备这些衍生物的方法以及这些化合物与生理上可接受的无机和有机酸如盐酸、硫酸、磷酸、富马酸、草酸、柠檬酸等以及季铵化合物的盐。
• PANTEV T. P., J. MED. CHEM., 30,(1987) N 4, 720-721
  作者：PANTEV T. P.

  DOI：——

  日期：——
• US3971814A
  申请人：——

  公开号：US3971814A

  公开（公告）日：1976-07-27
• US4056526A
  申请人：——

  公开号：US4056526A

  公开（公告）日：1977-11-01