3,3-二乙氧基丙烯腈 | 35146-02-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,3-二乙氧基丙烯腈
• 英文名称: 3,3-diethoxypropenenitrile
• 英文别名: 3,3-diethoxyacrylonitrile；β,β-Diethoxyacrylnitril；3,3-Diaethoxy-acrylonitril；1-cyano-2,2-bis(ethoxy)ethylene；3,3-diethoxyprop-2-enenitrile
• CAS: 35146-02-2
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: RKNAKGBQFBUEPY-UHFFFAOYSA-N

物化性质

• 沸点：
  259.1±20.0 °C(Predicted)
• 密度：
  0.983±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  3,3-二乙氧基丙烯腈 、 尿素 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以89%的产率得到胞嘧啶
  参考文献：
  名称：

  一种胞嘧啶中间体3，3-二乙氧基丙腈的制备 方法

  摘要：

  本发明公开了一种胞嘧啶中间体3，3‑二乙氧基丙腈的制备方法，包括以下步骤：步骤1：以乙腈为原料，在催化剂的作用下，与,过氧化叔丁醇(TBHP)反应，继而和一氧化碳气体发生羰基化反应，得到腈基乙醛；步骤2：腈基乙醛在催化量的酸乙醇作用下，与乙醇反应得到3，3‑二乙氧基丙腈。用此方法得到的3，3‑二乙氧基丙腈，和尿素发生缩合反应，用于制备胞嘧啶，合成效果好，胞嘧啶质量高。该反应不同于现有方法中靠强碱夺取乙腈氢质子的反应机理，而是利用自由基反应机理夺取乙腈氢质子，得到乙腈自由基，继而和一氧化碳发生羰基化反应，直接得到腈基乙醛。腈基乙醛在催化量的酸乙醇作用下，生成3，3‑二乙氧基丙腈。

  公开号：

  CN105399646B
• 作为产物：
  描述：

  cyanoacetic acid triethyl orthoester 在 磷酸 作用下， 生成 3,3-二乙氧基丙烯腈
  参考文献：
  名称：

  Ketene Acetals. XX. The Preparation and Properties of Cyanoketene Acetals. Some Novel Benzylation Reactions

  摘要：

  DOI：

  10.1021/ja01169a014

文献信息

• 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.

  该化合物的分子式为##STR1##其中R.sup.1是含有3到9个碳原子的直链或支链炔基团；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到4的整数；R.sup.13和R.sup.14各自独立地是氢或(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、药用可接受盐，是有效的抗溃疡药物。
• Thiazole derivatives
  申请人：Bristol-Myers Company

  公开号：US04200578A1

  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 and R.sup.3 each are independently hydrogen, (lower)alkyl, guanidino or --(CH.sub.2).sub.p NR.sup.4 R.sup.5 ; R.sup.4 and R.sup.5 each are independently hydrogen, (lower)alkyl or phenyl; n is 2 or 3; p is 1, 2 or 3; X is NR.sup.6 or CHR.sup.6 ; R.sup.6 is cyano, nitro, SO.sub.2 Ar or SO.sub.2 (lower)alkyl; and Ar is phenyl or phenyl containing 1 or 2 substituents selected from halogen and (lower)alkyl; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents.

  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团；R.sup.2和R.sup.3分别独立地是氢、(较低)烷基、胍基或--(CH.sub.2).sub.p NR.sup.4 R.sup.5；R.sup.4和R.sup.5分别独立地是氢、(较低)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)烷基；Ar为苯基或含有1或2个卤素和(较低)烷基的苯基；以及其无毒、药用可接受的盐，是有效的抗溃疡药物。
• 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。
• 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。
• Antisecretory agents
  申请人：Bristol-Myers Company

  公开号：US04289876A1

  公开（公告）日：1981-09-15

  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；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是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，是强效的抗溃疡剂。