N-benzyl-2,4-dihydroxy-3,3-dimethylbutyramide | 100618-94-8

• 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: N-benzyl-2,4-dihydroxy-3,3-dimethylbutyramide
• 英文别名: N-benzyl-2,4-dihydroxy-3,3-dimethylbutanamide
• CAS: 100618-94-8
• 化学式: C₁₃H₁₉NO₃
• 分子量: 237.299
• InChiKey: MADXIXXELGXZLD-UHFFFAOYSA-N

物化性质

• 沸点：
  495.3±45.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-benzyl-2,4-dihydroxy-3,3-dimethylbutyramide 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 二乙二醇二甲醚 为溶剂， 反应 20.0h， 生成 2,4-dihydroxy-N-phenyl-3,3-dimethylbutyramide
  参考文献：
  名称：

  One-pot synthesis of N-substituted pantolactams from pantolactone

  摘要：

  Rac-N-substituted pantolactams (5) are readily obtained in medium to good yields by reaction of rac-pantolactone (1) with primary amines under acid catalysis, whether at 250degreesC in a pressure reactor or under microwave irradiation. It appears that the amine can react with pantolactone at the carbonyl carbon atom to give a hydroxyamide (3) in a reversible way and at the methylene carbon atom to give a gamma-amino acid (4). The last one on dehydration would give the corresponding pantolactam (5). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00156-x
• 作为产物：
  描述：

  2,4-dihydroxy-N-phenyl-3,3-dimethylbutyramide 在 对甲苯磺酸 作用下， 以 甲醇 、 二乙二醇二甲醚 为溶剂， 反应 39.0h， 生成 N-benzyl-2,4-dihydroxy-3,3-dimethylbutyramide
  参考文献：
  名称：

  One-pot synthesis of N-substituted pantolactams from pantolactone

  摘要：

  Rac-N-substituted pantolactams (5) are readily obtained in medium to good yields by reaction of rac-pantolactone (1) with primary amines under acid catalysis, whether at 250degreesC in a pressure reactor or under microwave irradiation. It appears that the amine can react with pantolactone at the carbonyl carbon atom to give a hydroxyamide (3) in a reversible way and at the methylene carbon atom to give a gamma-amino acid (4). The last one on dehydration would give the corresponding pantolactam (5). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00156-x

文献信息

• Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss
  申请人：Barrett Gene David

  公开号：US20050245596A1

  公开（公告）日：2005-11-03

  Heterocycle substituted ketoamide derivatives of Formula (I), wherein the substitutes A, D, A and R are defined as in claim in, which are useful as cathepsin K inhibitors are described herein. The described invention also includes methods of making such heterocycle substituted ketoamide derivatives as well as method of using the same in the manufacture of medicaments for the treatment of disorders, including osteoporosis, associated with an imbalance between bone resorption and formation which can ultimately lead to fracture.

  本文描述了公式(I)的杂环取代酮酰胺衍生物，其中替代基A、D、A和R如权利要求中所定义，这些衍生物可用作卡特普西林K抑制剂。所述发明还包括制备这种杂环取代酮酰胺衍生物的方法，以及使用它们制造治疗与骨吸收和形成失衡有关的疾病（例如骨质疏松症），最终可能导致骨折的药物的方法。
• PHOTOSENSITIVE COMPOSITION, PLANOGRAPHIC PRINTING PLATE PRECURSOR, POLYURETHANE, AND METHOD FOR PRODUCING POLYURETHANE
  申请人：FUJIFILM CORPORATION

  公开号：US20140134540A1

  公开（公告）日：2014-05-15

  A photosensitive composition includes (A) a polyurethane obtained by reacting a diol component including a compound represented by the following Formula (I) with a polyisocyanate component; and (B) a photosensitive component. In Formula (I), A represents a single bond, or a divalent linking group including an atom selected from the group consisting of a carbon atom, a hydrogen atom, and an oxygen atoms; B represents a monovalent organic group; each of R 1 to R 5 independently represents a hydrogen atom or an alkyl group; m represents an integer from 0 to 3; n represents an integer from 0 to 3; and m+n is not zero.

  一种光敏组合物，包括(A)聚氨酯和(B)光敏组分。聚氨酯是通过将包括以下式(I)的化合物的二元醇组分与多异氰酸酯组分反应而获得的。在式(I)中，A表示单键，或者包括从群组中选择的原子的双价连接基团，该群组包括碳原子，氢原子和氧原子；B表示单价有机基团；R1到R5中的每一个独立地表示氢原子或烷基；m表示从0到3的整数；n表示从0到3的整数；且m+n不为零。
• Enantioselective hydrogenation of pyrrolidine-2,3,5-triones over the Pt–cinchonidine system
  作者：A Szabo、N Künzle、T Mallat、A Baiker

  DOI：10.1016/s0957-4166(98)00499-6

  日期：1999.1

  1- and I-Substituted pyrrolidine-2,3,5-triones 5, 6 and 9 have been synthesized and hydrogenated to 3-hydroxy derivatives 10-12 with 17-91% ee using a 5 wt% Pt/Al2O3 catalyst in the presence of small amounts of cinchonidine. The influence of substituents on the enantioselectivity is discussed. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Jujo, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1944, vol. 64, # 7, p. 1
  作者：Jujo

  DOI：——

  日期：——
• DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS
  申请人：SmithKline Beecham Corporation

  公开号：EP1494663A1

  公开（公告）日：2005-01-12