N-[1-(Methylsulfanyl)-2-nitroethenyl]prop-2-yn-1-amine | 74980-95-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N-[1-(Methylsulfanyl)-2-nitroethenyl]prop-2-yn-1-amine
• 英文别名: N-(1-methylsulfanyl-2-nitroethenyl)prop-2-yn-1-amine
• CAS: 74980-95-3
• 化学式: C6H8N2O2S
• 分子量: 172.21
• InChiKey: PTACPNLQVRDXCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[1-(Methylsulfanyl)-2-nitroethenyl]prop-2-yn-1-amine 、 2-[(2-thiazolylmethyl)thio]ethylamine 生成 1-Nitro-2-(2-propynylamino)-2-{2-[(thiazol-2-yl)methylthio]ethylamino}ethylene
  参考文献：
  名称：

  Thiazole derivatives

  摘要：

  式子为 ##STR1## 的化合物，其中R.sup.1是含有3-9个碳原子的直链或支链炔基；R.sup.2和R.sup.3各自独立地是氢、(较低的)烷基、鸟氨酸基或--(CH.sub.2).sub.p NR.sup.4 R.sup.5 ；R.sup.4和R.sup.5各自独立地是氢、(较低的)烷基或苯基；n为2或3；p为1、2或3；X为NR.sup.6或CHR.sup.6 ；R.sup.6为氰基、硝基、SO.sub.2 Ar或SO.sub.2 (较低的)烷基；Ar为苯基或含有1或2个卤素和(较低的)烷基的苯基；以及其无毒、药学上可接受的盐，是有效的抗溃疡剂。

  公开号：

  US04200578A1
• 作为产物：
  描述：

  炔丙胺 、 1-(methylsulfinyl)-1-(methylthio)-2-nitroethane 在 异丙醇 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以gave 1-methylthio-1-(2-propynylamino)-2-nitroethylene的产率得到N-[1-(Methylsulfanyl)-2-nitroethenyl]prop-2-yn-1-amine
  参考文献：
  名称：

  Pyridyl guanidine anti-ulcer agents

  摘要：

  分子式为##STR1##的化合物，其中R.sup.1是含有3至9个碳原子的直链或支链炔基基团; R.sup.2是氢，羟基，氰基，(较低)烷基，(较低)烷氧基，卤素或氨基; n为2或3; X为NR.sup.3或CHR.sup.3; R.sup.3为氰基，硝基，SO.sub.2 Ar; 或SO.sub.2(较低)烷基; R.sup.12为氢或(CH.sub.2).sub.p NR.sup.13 R.sup.14; p为1至4的整数，包括1和4; R.sup.13和R.sup.14各自独立地为氢或(较低)烷基; Ar为苯或含有1或2个卤素和(较低)烷基的苯基; 以及其无毒、药学上可接受的盐，是有效的抗溃疡剂。

  公开号：

  US04250316A1

文献信息

• Imidazolylalkylthioalkylamino-ethylene derivatives
  申请人：Bristol-Myers Company

  公开号：US04200760A1

  公开（公告）日：1980-04-29

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, (lower)alkyl, halogen or hydroxymethyl; m is 1 or 2, and n is 2 or 3, provided that the sum of m and n is 3 or 4; X and Y each are independently hydrogen, nitro, cyano, --SO.sub.2 Ar or --COR.sup.3, provided that X and Y are not both hydrogen; R.sup.3 is (lower)alkyl, Ar, (lower)alkoxy, amino or (lower)-alkylamino; and Ar is an optionally substituted phenyl group; and nontoxic pharmaceutically acceptable acid addition salts thereof, are potent anti-ulcer agents. Processes for their preparation and novel intermediates are also disclosed.

  化合物的公式为##STR1##其中，R.sup.1是含有3至9个碳原子的直链或支链炔基基团；R.sup.2是氢，（低）烷基，卤素或羟甲基；m为1或2，n为2或3，前提是m和n的总和为3或4；X和Y各自独立地是氢，硝基，氰基，--SO.sub.2 Ar或--COR.sup.3，前提是X和Y不都是氢；R.sup.3是（低）烷基，Ar，（低）烷氧基，氨基或（低）-烷基氨基；Ar是可选择取代的苯基团；以及其无毒且药学上可接受的酸盐。还公开了其制备过程和新颖的中间体。
• 1-(Alkynyl)amino-1-(mercaptoalkyl)amino ethylenes
  申请人：Bristol-Myers Company

  公开号：US04221737A1

  公开（公告）日：1980-09-09

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, (lower)alkyl, halogen or hydroxymethyl; m is 1 or 2, and n is 2 or 3, provided that the sum of m and n is 3 or 4; X and Y each are independently hydrogen, nitro, cyano, --SO.sub.2 Ar or --COR.sup.3, provided that X and Y are not both hydrogen; R.sup.3 is (lower)alkyl, Ar, (lower)alkoxy, amino or (lower)alkylamino; and Ar is an optionally substituted phenyl group; and nontoxic pharmaceutically acceptable acid addition salts thereof, are potent anti-ulcer agents. Also disclosed are processes for their preparation and novel intermediates of the formulae ##STR2## in which R.sup.1, X, Y and n are as defined above and R.sup.5 is (lower)alkyl, phenylalkyl or phenyl containing 1 or 2 substituents independently selected from nitro, chloro and bromo.

  该化合物的式子为##STR1##其中，R.sup.1是直链或支链炔基，含有3-9个碳原子，包括；R.sup.2是氢，(低)烷基，卤素或羟甲基；m为1或2，n为2或3，前提是m和n的总和为3或4；X和Y分别独立地是氢，硝基，氰基，--SO.sub.2 Ar或--COR.sup.3，前提是X和Y不都是氢；R.sup.3是(低)烷基，Ar，(低)烷氧基，氨基或(低)烷基氨基；Ar是一个可选的取代苯基；以及其无毒药学上可接受的酸加合盐，是有效的抗溃疡剂。此外，还公开了它们的制备过程和新的中间体的公式##STR2##其中，R.sup.1，X，Y和n如上定义，R.sup.5是(低)烷基，苯基烷基或含有1或2个独立选择的取代基的苯基，选自硝基，氯和溴。
• Furan compounds
  申请人：Bristol-Myers Company

  公开号：US04203909A1

  公开（公告）日：1980-05-20

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 and R.sup.3 are the same or different and are hydrogen, (lower)alkyl, (lower)alkenyl, (lower)alkynyl or Ar; R.sup.4 is hydrogen or (lower)alkyl; n is an integer of from 1 to 6; p is 1 or 2 and q is 2 or 3, provided that the sum of p and q is 3 or 4; X is NR.sup.5 or CHR.sup.5 ; R.sup.5 is cyano, nitro, SO.sub.2 Ar or SO.sub.2 (lower)alkyl; and Ar is an optionally substituted phenyl group; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents. Processes for their preparation and novel intermediates are also disclosed.

  化合物的公式为##STR1##其中R.sup.1是含有3至9个碳原子的直链或支链炔基基团; R.sup.2和R.sup.3相同或不同，可以是氢、(低)烷基、(低)烯基、(低)炔基或Ar; R.sup.4是氢或(低)烷基; n是1至6的整数; p为1或2，q为2或3，前提是p和q的和为3或4; X为NR.sup.5或CHR.sup.5; R.sup.5为氰基、硝基、SO.sub.2 Ar或SO.sub.2 (低)烷基; Ar为可选的取代苯基;以及其无毒、药学上可接受的盐，是有效的抗溃疡剂。还公开了其制备过程和新的中间体。
• Pyridyl guanidine anti-ulcer agents
  申请人：Bristol-Myers Company

  公开号：US04250316A1

  公开（公告）日：1981-02-10

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, hydroxy, cyano, (lower)alkyl, (lower)alkoxy, halogen or amino; n is 2 or 3; X is NR.sup.3 or CHR.sup.3 ; R.sup.3 is cyano, nitro, SO.sub.2 Ar; or SO.sub.2 (lower)alkyl; R.sup.12 is hydrogen or (CH.sub.2).sub.p NR.sup.13 R.sup.14 ; p is an integer of from 1 to 4, inclusive; R.sup.13 and R.sup.14 each are independently hydrogen or (lower)alkyl; and Ar is phenyl or phenyl containing 1 or 2 substituents independently selected from halogen and (lower)alkyl; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents.

  分子式为##STR1##的化合物，其中R.sup.1是含有3至9个碳原子的直链或支链炔基基团; R.sup.2是氢，羟基，氰基，(较低)烷基，(较低)烷氧基，卤素或氨基; n为2或3; X为NR.sup.3或CHR.sup.3; R.sup.3为氰基，硝基，SO.sub.2 Ar; 或SO.sub.2(较低)烷基; R.sup.12为氢或(CH.sub.2).sub.p NR.sup.13 R.sup.14; p为1至4的整数，包括1和4; R.sup.13和R.sup.14各自独立地为氢或(较低)烷基; Ar为苯或含有1或2个卤素和(较低)烷基的苯基; 以及其无毒、药学上可接受的盐，是有效的抗溃疡剂。
• 1-Nitro-2-(2-alkynylamino)-2-[(2-pyridylmethylthio)-ethylamino]ethylene
  申请人：Bristol-Myers Company

  公开号：US04282363A1

  公开（公告）日：1981-08-04

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, hydroxy, cyano, (lower)alkyl, (lower)alkoxy, halogen or amino; n is 2 or 3; X is NR.sup.3 or CHR.sup.3 ; R.sup.3 is cyano, nitro, SO.sub.2 Ar; or SO.sub.2 (lower)alkyl; R.sup.12 is hydrogen or (CH.sub.2).sub.p NR.sup.13 R.sup.14 ; p is an integer of from 1 to 4, inclusive; R.sup.13 and R.sup.14 each are independently hydrogen or (lower)alkyl; and Ar is phenyl or phenyl containing 1 or 2 substituents independently selected from halogen and (lower)alkyl; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents.

  化合物的公式为##STR1##其中R.sup.1是含有3至9个碳原子的直链或支链炔基；R.sup.2是氢、羟基、氰基、(较低)烷基、(较低)烷氧基、卤素或氨基；n为2或3；X是NR.sup.3或CHR.sup.3；R.sup.3是氰基、硝基、SO.sub.2 Ar；或SO.sub.2 (较低)烷基；R.sup.12是氢或(CH.sub.2).sub.p NR.sup.13 R.sup.14；p为1至4的整数；R.sup.13和R.sup.14各自独立地是氢或(较低)烷基；Ar是苯基或含有1或2个独立选择的卤素和(较低)烷基的苯基；以及其无毒、药学上可接受的盐，是强效的抗溃疡剂。