2,2-dichlorododecanoic acid | 31407-94-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2-dichlorododecanoic acid
• CAS: 31407-94-0
• 化学式: C₁₂H₂₂Cl₂O₂
• 分子量: 269.211
• InChiKey: WFCOSWHQJHEEKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  348.8±22.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,2-dichlorododecanal 在 硝酸 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 192.0h， 以88%的产率得到2,2-dichlorododecanoic acid
  参考文献：
  名称：

  Oxidation of Aliphatic 2,2‐Dichloroalkanals by HNO₃ in CH₂Cl₂: An Easy and Eco‐friendly Route to the Corresponding 2,2‐Dichloroalkanoic Acids

  摘要：

  A simple, economically convenient, and eco-compatible procedure for the oxidation of 2,2-dichloroalkanals to the corresponding alkanoic acids has been set up, employing HNO3 in CH2Cl2, in the presence of NaNO2 as catalyst.

  DOI：

  10.1081/scc-120030698

文献信息

• Buyck, L. De; Casaert, F.; Lepeleire, C. De, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 7, p. 525 - 534
  作者：Buyck, L. De、Casaert, F.、Lepeleire, C. De、Schamp, N.

  DOI：——

  日期：——
• Savary; Desnuelle, Bulletin de la Societe Chimique de France, 1952, p. 213
  作者：Savary、Desnuelle

  DOI：——

  日期：——
• 2,2-DICHLORALKANCARBONSÄUREN, VERFAHREN ZU IHRER HERSTELLUNG DIESE ENTHALTENDE ARZNEIMITTEL, UND IHRE VERWENDUNG ZUR BEHANDLUNG DER INSULINRESISTENZ
  申请人：BOEHRINGER MANNHEIM GMBH

  公开号：EP0790824A1

  公开（公告）日：1997-08-27
• POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION
  申请人：Akzo Nobel Chemicals International B.V.

  公开号：EP2588502A1

  公开（公告）日：2013-05-08
• SURFACTANT
  申请人：Suzuki Kazumitsu

  公开号：US20070167343A1

  公开（公告）日：2007-07-19

  To provide a surfactant which is obtainable by using substantially no alkali metal, has excellent readhesion prevention ability of finely-pulverized particles at the time of cleaning, and is capable of quite efficient and advanced cleaning. In the present invention, a surfactant which comprises a neutralized salt (AB1) and/or neutralized salt (AB2) is used. Neutralized salt (AB1): a neutralized salt (AB1) which comprises an acidic compound (A1) containing at least each one of an acid group (X1) of an acid having the difference of heat of formation in an acid dissociation reaction (Q1) of 3 to 200 kcal/mol and a hydrophobic group (Y) containing 1 to 36 carbon atoms, and a nitrogen-containing basic compound (B) having the difference of heat of formation in a proton addition reaction of 10 to 152 kcal/mol, wherein (X1) is at least one species selected from a sulfonic acid group, and the like. Neutralized salt (AB2): a neutralized salt (AB2) which comprises a polymer (A2) having at least one acid group (X2) within the molecule, and the nitrogen-containing basic compound (B) having the difference of heat of formation in a proton addition reaction of 10 to 152 kcal/mol.