2-s-Butyl-2-hydroxymethyl-1,3-propanediol | 82515-52-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-s-Butyl-2-hydroxymethyl-1,3-propanediol
• 英文别名: 2-Butan-2-yl-2-(hydroxymethyl)propane-1,3-diol
• CAS: 82515-52-4
• 化学式: C₈H₁₈O₃
• 分子量: 162.229
• InChiKey: GOMHEPGTRNLWPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-s-Butyl-2-hydroxymethyl-1,3-propanediol 在 sodium acetate 、 lithium 、 对甲苯磺酸 、 pyridinium chlorochromate 作用下， 以 乙醚 、 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1-(5-sec-Butyl-2,2-dimethyl-[1,3]dioxan-5-yl)-2-methyl-butan-1-ol
  参考文献：
  名称：

  Bicyclophosphorothionate antagonists exhibiting selectivity for housefly GABA receptors

  摘要：

  2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane 1-sulfides (bicyclophosphorothionates) with various C1-4 alkyl groups at the 3- and 4-positions were synthesized and tested for their ability to compete with [H-3]4'-ethynyl-4-n-propylbicycloorthobenzoate (EBOB), a non-competitive antagonist of gamma-aminobutyric acid (GABA) receptors, for specific binding to rat-brain and housefly-head membranes, and for their insecticidal activity against houseflies. Among the 3,4-substituted analogues, 20 compounds were selectively active for housefly GABA receptors versus rat GABA receptors. The 3-alkyl groups of C-3 length and the 4-alkyl groups of C-4 length were tolerated in housefly receptors, whereas such bulky substituents were deleterious in rat receptors. The 4-isobutyl-3-isopropyl analogue was the most potent in housefly receptors (IC50 = 45.2 nM), and tert-butylbicyclophosphorothionate (TBPS), with the 4-tert-butyl group and no 3-substituent, was the most potent in rat receptors (IC50 = 62.2 nM). Their receptor selectivities (rat IC50/housefly IC50) were 52 and 0.038, respectively. The insecticidal activity (LD50) of 20 active analogues was well correlated with their potency (IC50) in inhibiting [H-3]EBOB binding to housefly-head membranes (r = 0.93). The results obtained in the present study indicate that the introduction of appropriate alkyl groups into the 3- and ii-positions of bicyclophosphorothionate leads to non-competitive antagonists with increased affinity and selectivity for housefly ionotropic GABA receptors versus rat GABAA receptors. (C) 1999 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(199910)55:10<971::aid-ps49>3.0.co;2-j
• 作为产物：
  描述：

  Diethyl s-butylhydroxymethylmalonate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以40%的产率得到2-s-Butyl-2-hydroxymethyl-1,3-propanediol
  参考文献：
  名称：

  Synthesis and some spectral characteristics of bicyclic phosphate, GABA antagonists.

  摘要：

  双环磷酸酯（BPs），即GABA拮抗剂，是通过相应的三醇与磷酰氯反应制备的。这些三醇是通过以下方法之一获得的：（a）具有α氢原子的醛与甲醛的Tollens缩合；（b）以多聚甲醛为反应物的烷基丙二酸酯或α-烷基乙酰乙酸酯的碱催化羟甲基化反应，随后进行还原；（c）二乙基特戊酰基丙二酸酯的还原；或（d）季戊四醇的卤化。一些BPs还可通过BP同系物的官能团修饰得到。4-取代的BPs的1H-NMR谱显示出由于内环亚甲基质子引起的特征双重峰，其位移位置受桥头取代基的电子性质影响。BPs的质谱特征在于环失CH2O的峰。

  DOI：

  10.1271/bbb1961.46.411

文献信息

• Curing composition
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0267698A2

  公开（公告）日：1988-05-18

  A curing composition comprising a silane func­tional acrylic polymer component and a silane functional oligomer component. The polymer component is a co-polymer of functional silyl group-containing units derived from monomers of Formula:-     CH₂=CR¹CO₂(CH₂)aL The oligomer component is of formula     E(GKL)₆ in which E is derived from a multifunctional isocyanate oligomer, G is of general formula:-     -[0(CH₂)₅CO]c[O(CH₂)dOCO(CH₂)₂]- and K is of general formula:-     -[NR⁵(CH₂)m]- and where L is a group of Formula

  一种固化组合物，包括硅烷官能团丙烯酸聚合物组分和硅烷官能团低聚物组分。 聚合物组分是含官能团硅基单元的共聚物，这些单元来源于式：- CH₂=CR¹CO₂(CH₂)aL 低聚物组分为式 E(GKL)₆，其中 E 来源于多功能异氰酸酯低聚物，G 为通式：-[0(CH₂)₅CO]c[O(CH₂)dOCO(CH₂)₂]-，K 为通式：-[NR⁵(CH₂)m]-，其中 L 为式的基团。
• OZOE, YOSHIHISA;ETO, MORIFUSA, AGR. AND BIOL. CHEM., 1982, 46, N 2, 411-418
  作者：OZOE, YOSHIHISA、ETO, MORIFUSA

  DOI：——

  日期：——
• Use Of Aqueous Dispersions For Tertiary Mineral Oil Production
  申请人：Huff Jürgen

  公开号：US20080194434A1

  公开（公告）日：2008-08-14

  Use of water-soluble polymers for tertiary mineral oil production by introducing the polymer into a mineral oil deposit, in which the water-soluble polymers are used in the form of a dispersion of the water-soluble polymer and at least one water-soluble, polymeric stabilizer.
• US4785035A
  申请人：——

  公开号：US4785035A

  公开（公告）日：1988-11-15
• US7622428B2
  申请人：——

  公开号：US7622428B2

  公开（公告）日：2009-11-24