2-乙基-2-异丙基-丙烷-1,3-二醇 | 24765-55-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙基-2-异丙基-丙烷-1,3-二醇
• 英文名称: 2-Aethyl-2-isopropyl-propan-1,3-diol
• 英文别名: 3-Methyl-2-hydroxymethyl-2-ethyl-butanol-(1)；2-Ethyl-2-isopropyl-propan-1,3-diol；2-ethyl-2-isopropyl-propane-1,3-diol；2-isopropyl-2-ethyl-1,3-propanediol；2-Ethyl-2-propan-2-ylpropane-1,3-diol
• CAS: 24765-55-7
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: NCTPQXCGJHWDQF-UHFFFAOYSA-N

物化性质

• 沸点：
  110-115 °C(Press: 5 Torr)
• 密度：
  0.937±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙基-2-异丙基-丙烷-1,3-二醇 在 氢氧化钾 、 氢溴酸 、 溶剂黄146 作用下， 生成 2-甲-3-亞甲基戊烷
  参考文献：
  名称：

  Oxetanes. IX. Structural and Solvent Effects in the Reaction of γ-Bromoalcohols with Base^1,2

  摘要：

  DOI：

  10.1021/jo01094a001
• 作为产物：
  描述：

  ethyl-isopropyl-malonic acid diethyl ester 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2-乙基-2-异丙基-丙烷-1,3-二醇
  参考文献：
  名称：

  Muscle-Relaxing Compounds Similar to 3-(o-Toloxy)-1,2-propanediol. II. Substituted Alkanediols¹

  摘要：

  DOI：

  10.1021/ja01164a108

文献信息

• [EN] QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLONE UTILISÉS EN TANT QU'INHIBITEURS DU RÉCEPTEUR DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2016191172A1

  公开（公告）日：2016-12-01

  Compounds of formula (I) that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式(I)的化合物是成纤维细胞生长因子抑制剂（FGFR），因此可用于治疗可通过抑制FGFR治疗的疾病。还披露了包含此类化合物的药物组合物以及制备此类化合物的过程。
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。
• COMPOUNDS USEFUL AS IMMUNOMODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20170107202A1

  公开（公告）日：2017-04-20

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.

  本发明公开一般涉及可用作免疫调节剂的化合物。本发明提供了化合物、包含此类化合物的组合物及其使用方法。本发明还涉及包含至少一种根据本发明的化合物的药物组合物，这些药物组合物可用于治疗各种疾病，包括癌症和传染病。
• Tri-peptide Inhibitors of Serine Elastases
  申请人：Cheronis John C.

  公开号：US20090156509A1

  公开（公告）日：2009-06-18

  The present invention provides compounds of formula (I): where X is R 1 —(CR 3 R 4 ) n OC(O)—; R 1 —(CR 3 R 4 ) n C(O)—; R 1 —C(O)NH(CR 3 R 4 ) n OC(O)—; R 1 —C(O)NH(CR 3 R 4 ) n C(O)—; R 1 —C(O)(CR 3 R 4 ) n OC(O)—; or R 1 —C(O)(CR 3 R 4 ) n C(O)—; where R 1 is optionally substituted C 5-10 aryl or heteroaryl; OH or NH 2 ; where R 3 and R 4 are independently H or methyl; and n is 0 to 6; and Y is —CF 3 or one of: where R 2 is C 1-8 alkyl optionally substituted with halo or —OH; —(CR 6 R 7 ) p —C 5-6 aryl optionally substituted with halo, —OH, C 1-8 alkyl, C 1-8 haloalkyl, —(CH 2 ) m C(O)NH 2 or —(CH 2 ) m OCH 3 ; where R 6 and R 7 are independently H or methyl; m is 0 to 4, and p is 0 or 1 or a pharmaceutically acceptable salt, ester, metabolite or prodrug thereof

  本发明提供了式(I)的化合物：其中X为R1—(CR3R4)nOC(O)—; R1—(CR3R4)nC(O)—; R1—C(O)NH(CR3R4)nOC(O)—; R1—C(O)NH(CR3R4)nC(O)—; R1—C(O)(CR3R4)nOC(O)—; 或R1—C(O)(CR3R4)nC(O)—;其中R1为可选择的取代C5-10芳基或杂环芳基; OH或NH2;其中R3和R4独立地为H或甲基; n为0到6;以及Y为—CF3或下列之一：其中R2为C1-8烷基，可选择地取代卤或—OH; —(CR6R7)p—C5-6芳基，可选择地取代卤，—OH，C1-8烷基，C1-8卤代烷基，—(CH2)mC(O)NH2或—( )mOCH3;其中R6和R7独立地为H或甲基; m为0到4，p为0或1或其药学上可接受的盐，酯，代谢物或前药。
• Concentrated, stable, preferably clear, fabric softening composition
  申请人：Trinh Toan

  公开号：US20060058216A1

  公开（公告）日：2006-03-16

  Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.

  本发明揭示了主要溶剂，特别是具有ClogP约为0.15至约0.64，优选为约0.25至约0.62，更优选为约0.40至约0.60的单醇和双醇主要溶剂，具有制备含有长链疏水基中酯键的相对高浓度织物柔顺剂活性成分的清澈水性织物柔顺剂组合物的能力。织物柔顺剂活性成分可以是不饱和的，也可以具有中等长度的链（约C12-14），所述主要溶剂的使用水平小于约40％。其他溶剂可以存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔顺剂活性成分、主要溶剂和可选的其他溶剂的预混物在制备完整配方时是有用的，因为它们可以避免/限制加热的需要。