1,1-diethoxy-4,4-dimethylpent-2-yne | 51149-67-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1-diethoxy-4,4-dimethylpent-2-yne
• CAS: 51149-67-8
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: JKOKRONTXNGFGW-UHFFFAOYSA-N

物化性质

• 沸点：
  70-76 °C(Press: 13 Torr)
• 密度：
  0.892±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-diethoxy-4,4-dimethylpent-2-yne 生成 1-ethoxy-4,4-dimethyl-pent-2c-ene
  参考文献：
  名称：

  Novel syntheses of .alpha.-keto ethers and cis-allylic ethers via the hydroboration of acetylenic acetals

  摘要：

  DOI：

  10.1021/ja00808a084
• 作为产物：
  描述：

  乙醇 、 1,1,2-三溴-2-(叔丁基)环丙烷 在 sodium hydroxide 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 为溶剂， 以37%的产率得到1,1-diethoxy-4,4-dimethylpent-2-yne
  参考文献：
  名称：

  Neighbouring-group Influence on the Ring Opening of Some 2-Alkyl-1,1,2-tribromocyclopropanes under Phase-transfer Conditions

  摘要：

  Several 2-alkyl-1,1,2-tribromocyclopropanes were treated with sodium hydroxide and ethanol under phase-transfer conditions. Ring opening gave mixtures of the corresponding acetylenic diethyl ketals and acetals. When the steric bulk of the alkyl substituent was increased acetal formation dominated, and in the case of 1,1,2-tribromo-2-(tert-butyl)cyclopropane, the acetal was formed as the only product.

  DOI：

  10.1007/s00706-005-0358-z

文献信息

• HIV INHIBITING 5, 6-SUBSTITUTED PYRIMIDINES
  申请人：Guillemont Jerôme Emile Georges

  公开号：US20100261722A1

  公开（公告）日：2010-10-14

  HIV replication inhibitors of formula R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; C 1-6 alkyl; C 1-6 alkyloxycarbonyl; R 2 , R 3 , R 7 and R 8 are hydrogen; hydroxy; halo; C 3-7 cycloalkyl; C 1-6 alkyloxy; carboxyl; C 1-6 alkyloxycarbonyl; cyano; nitro; amino; mono- or di(C 1-6 alkyl)amino; polyhaloC 1-6 alkyl; polyhaloC 1-6 alkyloxy; —C(═O)R 10 ; C 1-6 alkyl optionally substituted with halo, cyano or —C(═O)R 10 ; optionally substituted C 1-6 alkyl, C 2-6 alkenyl, or C 2-6 alkynyl; R 4 and R 9 are hydroxy; halo; C 3-7 cycloalkyl; C 1-6 alkyloxy; carboxyl; C 1-6 alkyloxycarbonyl; formyl; cyano; nitro; amino; mono- or di(C 1-6 alkyl)amino; polyhaloC 1-6 alkyl; polyhaloC 1-6 alkyloxy; —C(═O)R 10 ; cyano; —S(═O) r R 10 ; —NH—S(═O) 2 R 10 ; —NHC(═O)H; —C(═O)NHNH 2 ; —NHC(═O)R 10 ; Het; —Y-Het; optionally substituted C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl; R 5 is C 2-6 alkenyl or C 2-6 alkynyl both substituted with cyano, aminocarbonyl, mono- and di(C 1-6 alkyl)aminocarbonyl, aryl, pyridyl, thienyl, furanyl, or with one or two C 1-6 alkyloxy groups; Het; —C(═O)NR 5a R 5b ; —CH(OR 5c )R 5d ; X is —NR 1 —, —O—, —CH 2 —, or —S—; pharmaceutical compositions containing these compounds as active ingredient and processes for preparing said compounds and compositions.
• US5502073A
  申请人：——

  公开号：US5502073A

  公开（公告）日：1996-03-26
• US8318736B2
  申请人：——

  公开号：US8318736B2

  公开（公告）日：2012-11-27
• Neighbouring-group Influence on the Ring Opening of Some 2-Alkyl-1,1,2-tribromocyclopropanes under Phase-transfer Conditions
  作者：Leiv K. Sydnes、Karl F. S. Alnes、Natalia Erdogan

  DOI：10.1007/s00706-005-0358-z

  日期：2005.10

  Several 2-alkyl-1,1,2-tribromocyclopropanes were treated with sodium hydroxide and ethanol under phase-transfer conditions. Ring opening gave mixtures of the corresponding acetylenic diethyl ketals and acetals. When the steric bulk of the alkyl substituent was increased acetal formation dominated, and in the case of 1,1,2-tribromo-2-(tert-butyl)cyclopropane, the acetal was formed as the only product.
• Novel syntheses of .alpha.-keto ethers and cis-allylic ethers via the hydroboration of acetylenic acetals
  作者：George Zweifel、Arbeit Horng、Joseph E. Plamondon

  DOI：10.1021/ja00808a084

  日期：1974.1