丁脒 | 107-90-4

• 物质功能分类: 化学试剂 - 有机试剂 - 肟
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 丁脒
• 英文名称: butyramidine
• 英文别名: Butyramidin；Butanimidamide
• CAS: 107-90-4
• 化学式: C₄H₁₀N₂
• mdl: MFCD00939261
• 分子量: 86.1368
• InChiKey: RXKUYBRRTKRGME-UHFFFAOYSA-N

物化性质

• 沸点：
  117.2±23.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 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：

  trichloromethyl mercaptan 、 丁脒 生成 5-Chlor-3-propyl-1,2,4-thiadiazol
  参考文献：
  名称：

  WOERFFEL; BEHNISCH, Archiv der Pharmazie, 1962, vol. 295 /67, p. 811 - 816

  摘要：

  DOI：
• 作为产物：
  描述：

  丁腈 在 氨 、 溴化铵 作用下， 生成 丁脒
  参考文献：
  名称：

  Preparation of Amidine Salts by Reaction of Nitriles with Ammonium Salts in the Presence of Ammonia

  摘要：

  DOI：

  10.1021/jo01051a033

文献信息

• Modifications and structure–activity relationships at the 2-position of 4-sulfonamidopyrimidine derivatives as potent endothelin antagonists
  作者：Hiroshi Morimoto、Hideshi Shimadzu、Toshihiro Hosaka、Yasushi Kawase、Kosuke Yasuda、Kohei Kikkawa、Rikako Yamauchi-Kohno、Koichiro Yamada

  DOI：10.1016/s0960-894x(01)00682-5

  日期：2002.1

  To improve water solubility and to study structure-activity relationships, we modified the structure of the pyrimidine nucleus of each of a series of potent ET(A) antagonists, 3a and 4a, at the 2-position. In a previous study, each of these antagonists showed an extremely high affinity for the ET(A) receptor in porcine aortic membrane (IC(50) 3a; < 0.001 nM, 4a; 0.0039 nM). Two modification methods

  为了提高水溶性并研究结构-活性关系，我们在2位修饰了一系列有效的ET（A）拮抗剂3a和4a的嘧啶核的结构。在以前的研究中，这些拮抗剂中的每一种都对猪主动脉膜中的ET（A）受体表现出极高的亲和力（IC（50）3a; <0.001 nM，4a; 0.0039 nM）。分别应用了两种修饰方法，一种是添加有机锂，然后进行DDQ氧化，另一种是2-（甲基磺酰基）嘧啶的亲核取代，以合成2-取代的4-磺酰胺基嘧啶衍生物。将芳基，杂芳基，烷基，氨基，烷氧基或烷硫基基团引入2-位可改变亲和力。
• Styrylamidines
  申请人：Mead Johnson & Company

  公开号：US04052455A1

  公开（公告）日：1977-10-04

  Styrylamidines are prepared by treating styrylsulfonylamidines with base. The styrylamidines are effective in the prevention of aggregation of blood platelets and as analgesics. Compounds of the invention are also useful as anticonvulsants, diuretics and antihypertensive agents. The styrylsulfonylamidines of the invention which serve as precursors to the styrylamidines also have analgesic properties. Illustrative of the styrylamidines of the present invention are 4-amino-N-(4-aminostyryl)benzamidine and N-(3,4-dichlorostyryl)acetamidine. An example of a styrylsulfonylamidine is N-(styrylsulfonyl)acetamidine.

  Styrylamidines是通过用碱处理styrylsulfonylamidines制备的。这些styrylamidines在预防血小板聚集和作为止痛药方面非常有效。该发明的化合物还可用作抗癫痫药、利尿剂和降压药。该发明的styrylsulfonylamidines作为styrylamidines的前体也具有止痛特性。本发明的styrylamidines的示例包括4-氨基-N-(4-氨基styryl)苯胺和N-(3,4-二氯styryl)乙酰胺。styrylsulfonylamidine的一个例子是N-(styrylsulfonyl)乙酰胺。
• Imidazo[1,5-d]-as-triazines
  申请人：American Cyanamid Company

  公开号：US04107308A1

  公开（公告）日：1978-08-15

  There are provided novel substituted imidazo-[1,5-d]-as-triazines useful as hypotensive agents as well as exhibiting herbicidal activity.

  提供了一种新型的取代咪唑-[1,5-d]-三嗪类化合物，可用作降压药物，同时具有除草活性。
• Ring opening reactions of <i>N</i>-substituted-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxamides
  作者：Marshall Kulka、W. A. Harrison

  DOI：10.1139/v82-164

  日期：1982.5.1

  The amides prepared from 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride 2 and imidamides 4, carbamimidothioates 4, 2-benzimidazolamine 7, 2-benzothiazolamine 12, and 2-thiazolamine have been studied. The reaction of 2 with imidamides 4 and with carbamimidothioates 4 in the presence of base gave the amides 5, which when heated in toluene underwent the 1,4-oxathiin ring opening and rearrangement to produce 2-substituted-5-[(2-hydroxyethyl)thio]-6-methyl-4(1H)-pyrimidinones 6. Acylation of 2-benzimidazolamine 7 with 2 yielded the amide 10. This, in boiling ethanol, ring opened and rearranged to give the compound 11. The reaction of 2-benzothiazolamine 12 with 2 gave the rearrangement product 14 directly and neither of the possible amides 13 and 15 could be detected. The amide 15 was synthesized by an unambiguous route from 2-aminobenzenethiol and 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl isothiocyanate 3. It would not undergo ring opening and rearrangement when heated. Acylation of 2-thiazolamine with 2 yielded a mixture from which the amide 19 and the rearrangement ester 18 were separated. Structural assignments are based mainly on nmr, uv, and ir spectral evidence.

  从5,6-二氢-2-甲基-1,4-噁硫环-3-羰基氯化物2和咪唑酰胺4、氨基甲硫酸酯4、2-苯并咪唑胺7、2-苯并噻唑胺12和2-噻唑胺制备的酰胺已经研究。在碱存在下，2与咪唑酰胺4和氨基甲硫酸酯4发生反应生成酰胺5，当在甲苯中加热时，发生1,4-噁硫环开环重排反应，生成2-取代-5-[(2-羟乙基)硫基]-6-甲基-4(1H)-嘧啶酮6。2-苯并咪唑胺7与2的酰化生成酰胺10。在沸腾的乙醇中，发生环开环重排反应，生成化合物11。2-苯并噻唑胺12与2发生反应，直接生成重排产物14，无法检测到可能的酰胺13和15。酰胺15由2-氨基苯硫醇和5,6-二氢-2-甲基-1,4-噁硫环-3-羰基异硫氰酸酯3经过明确的途径合成。当加热时，不会发生环开环和重排反应。2-噻唑胺与2的酰化产生混合物，从中分离出酰胺19和重排酯18。结构分配主要基于核磁共振、紫外和红外光谱证据。
• Synthesis of amidine derivatives of alkylthiosulfuric acids as potential antiradiation agents
  作者：G. Sosnovsky、P. Schneider

  DOI：10.1016/s0040-4020(01)98555-2

  日期：1963.1

  Two methods were used to prepare a series of amidine derivatives of alkylthiosulfuric acids to be used as potential antiradiation agents. In one method an equimolar mixture of an amidine and an aminothiosulfuric acid was reacted in boiling methanol to give the corresponding substituted N-(alkylthiosulfuric acid) amidine. In the other method an amidine was reacted with an aminoalkyl- thiosulfuric acid

  用两种方法制备了一系列烷基硫代硫酸的am衍生物，用作潜在的抗辐射剂。在一种方法中，使boiling和氨基硫代硫酸的等摩尔混合物在沸腾的甲醇中反应，得到相应的取代的N-（烷基硫代硫酸）am。在另一种方法中，使idine与氨基烷基-硫代硫酸反应。制备了以下化合物：