4-chloro-2,2-dimethylbutan-1-ol | 616236-08-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-chloro-2,2-dimethylbutan-1-ol
• CAS: 616236-08-9
• 化学式: C₆H₁₃ClO
• mdl: MFCD19233967
• 分子量: 136.622
• InChiKey: YFNUFJPVGUIACT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-chloro-2,2-dimethylbutan-1-ol 在 silica gel 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以63%的产率得到4-chloro-2,2-dimethylbutanal
  参考文献：
  名称：

  One-Pot Synthesis of 3,3-Dimethylpyrrolidine-2-carbonitriles from 4-Chloro-2,2-dimethylbutanal in Water

  摘要：

  Treatment of 4-chloro-2,2-dimethylbutanal, prepared in high yield by means of a three-step procedure starting from ethyl isobutyrate, with successively sodium bisulphite, a primary amine and potassium cyanide in water afforded novel 1-alkyl- and 1-aryl-3,3-dimethylpyrrolidin-2-carbonitriles in a convenient and environmentally benign way.

  DOI：

  10.3987/com-08-s(f)1
• 作为产物：
  描述：

  ethyl 4-chloro-2,2-dimethylbutanoate 在 锂硼氢 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以96%的产率得到4-chloro-2,2-dimethylbutan-1-ol
  参考文献：
  名称：

  作为潜在脂质调节剂的泛内酯和泛酸衍生物的合成

  摘要：

  摘要 合成了一系列泛内酯和泛酸衍生物 (1-10) 以测试它们作为脂质调节剂的潜力，这些药物充当辅酶 A 模拟物。合成以中等至高产率进行。

  DOI：

  10.1080/00397910500377545

文献信息

• Design and application of esterase-labile sulfonate protecting groups
  作者：Laert Rusha、Stephen C. Miller

  DOI：10.1039/c0cc04796a

  日期：——

  Three esterase-labile, but chemically-stable sulfonate protecting groups have been designed and synthesized. One of these sulfonate esters allowed the cytoplasmic delivery and unmasking of a sulfonated dye in live cells.

  已经设计并合成了三个酯酶不稳定但化学稳定的磺酸盐保护基团。其中一种磺酸酯允许在活细胞中将磺化染料传递到细胞质中并使其暴露。
• Syntheses of Pantolactone and Pantothenic Acid Derivatives as Potential Lipid Regulating Agents
  作者：Daniela C. Oniciu、Roel P. L. Bell、Bruce H. McCosar、Charles L. Bisgaier、Jean‐Louis H. Dasseux、Dennis Verdijk、Mike Relou、Dennis Smith、Henk Regeling、Frank M. C. Leemhuis、Eelco J. Ebbers、Ralf Mueller、Lianhao Zhang、Emil Pop、Clay T. Cramer、Brian Goetz、Andrew McKee、Michael E. Pape、Brian R. Krause

  DOI：10.1080/00397910500377545

  日期：2006.1

  Abstract A series of pantolactone and pantothenic acid derivatives (1–10) were synthesized to be tested for their potential as lipid regulating agents that act as Coenzyme‐A mimics. The syntheses were performed with moderate to high yields.

  摘要 合成了一系列泛内酯和泛酸衍生物 (1-10) 以测试它们作为脂质调节剂的潜力，这些药物充当辅酶 A 模拟物。合成以中等至高产率进行。
• Mimics of acyl coenzyme-A comprising pantolactone and pantothenic acid derivatives, compositions thereof, and methods of cholesterol management and related uses
  申请人：——

  公开号：US20030236213A1

  公开（公告）日：2003-12-25

  The invention relates to novel Acyl coenzyme-A mimics, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The Acyl coenzyme-A mimics, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, bacterial infection and impotence. In certain embodiments, the Acyl coenzyme-A mimics, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新型酰基辅酶A类似物，包含酮类化合物的组合物，以及用于治疗和预防心血管疾病、脂质代谢异常、蛋白质代谢异常和葡萄糖代谢障碍的方法，其中包括给予含有酮类化合物的组合物。本发明的酰基辅酶A类似物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合症、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症、细菌感染和阳痿。在某些实施例中，本发明的酰基辅酶A类似物、组合物和方法与其他治疗剂如降胆固醇和降血糖药物一起使用，可用于联合治疗。
• MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES
  申请人：Esperion Therapeutics, Inc.

  公开号：EP1495034A2

  公开（公告）日：2005-01-12
• [EN] MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES<br/>[FR] MIMIQUES D'ACYL-COENZYME A COMPRENANT DES DERIVES DE PANTOLACTONE ET D'ACIDE PANTOTHENIQUE, LEURS COMPOSITIONS, METHODES DE REGULATION DU TAUX DE CHOLESTEROL ET UTILISATIONS ASSOCIEES
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2003087040A2

  公开（公告）日：2003-10-23

  The invention relates to novel Acyl coenzyme-A mimics, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyshpidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The Acyl coenzyme-A mimics, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, bacterial infection and impotence. In certain embodiments, the Acyl coenzyme-A mimics, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.