(S)-4,4-dimethyl-2-pentanol | 61184-91-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-4,4-dimethyl-2-pentanol
• 英文别名: (S)-4,4-dimethylpentan-2-ol；(S)-4,4-dimethyl-pentan-2-ol；(+)-(S)-tBuCH2CH(Me)OH；(+)(S)-4,4-Dimethyl-pentanol-(2)；(S)-Neopentylmethylcarbinol；(2S)-4,4-dimethylpentan-2-ol
• CAS: 61184-91-6
• 化学式: C₇H₁₆O
• 分子量: 116.203
• InChiKey: OIBKGNPMOMMSSI-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  2
• 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：

  (S)-4,4-dimethyl-2-pentanol 在 间氯过氧苯甲酸 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.08h， 生成 (R)-1-(phenylmethyl)-2-[(1,3,3-trimethylbutyl)sulfonyl]benzimidazole
  参考文献：
  名称：

  Enantioselective hydrogen atom transfer to α-sulfonyl radicals controlled by selective coordination of a chiral Lewis acid to an enantiotopic sulfonyl oxygen

  摘要：

  Enantioselective hydrogen atom transfer to a-sulfonyl radicals generated from the alkyl radical addition to 2-propenyl and 1-phenylethenyl sulfones in the presence of chiral Lewis acids affords products with high enantioselectivity. The stereochemical course is discussed with the transition states involving selective coordination of a chiral Lewis acid to an enantiotopic sulfonyl oxygen. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00531-7
• 作为产物：
  描述：

  4,4-二甲基-2-戊醇 生成 (S)-4,4-dimethyl-2-pentanol
  参考文献：
  名称：

  Stereochemistry of (+)-(S)-2-Propanol-1-d₃. Partial Asymmetric Reduction of 4″,1”-Dimethyl-1,2,3,4-dibenzcyclohepta-1,3-diene-6-one

  摘要：

  DOI：

  10.1021/ja00869a035

文献信息

• Screening method for the evaluation of asymmetric catalysts for the reduction of aliphatic ketones
  作者：Mourad Boukachabia、Saoussen Zeror、Jacqueline Collin、Jean-Claude Fiaud、Louisa Aribi Zouioueche

  DOI：10.1016/j.tetlet.2011.01.112

  日期：2011.3

  ATH reductions of aliphatic ketones in water catalyzed by ruthenium coordinated by prolinamide ligands produce alcohols with moderate enantiomeric excesses in most cases. A set of seven aliphatic ketones is proposed for a rapid evaluation of the enantioselectivity of catalysts by one-pot multi-substrates reduction. The screening of a library of prolinamides shows that according to the structure of

  在大多数情况下，钌在脯氨酰胺配体的协助下，ATH催化ATH还原水中的脂肪族酮，会生成对映体过量的醇。提出了一组七种脂肪族酮，用于通过一锅多底物还原来快速评估催化剂的对映选择性。对脯氨酰胺的文库的筛选显示，根据酮的结构，不同的配体给出了最佳的不对称诱导。
• ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS
  申请人：Vaillancourt Valerie A.

  公开号：US20120035122A1

  公开（公告）日：2012-02-09

  This invention recites isoxazoline substituted azetidine derivatives of Formula (1) stereoisomers thereof, veterinarily acceptable salts thereof, compositions thereof, and their use as a parasiticide in mammals and birds. R 1a , R 1b , R 1c , R 2 , R 3 , R 4 , R 6 , and n are as described herein.

  这项发明涉及公式（1）的异噁唑烷取代的氮杂环丙烷衍生物及其立体异构体，其兽医学上可接受的盐，其组合物，以及它们作为哺乳动物和鸟类的驱虫剂的用途。R1a，R1b，R1c，R2，R3，R4，R6和n如本文所述。
• Pyridine and Pyrazine derivative for the Treatment of CF
  申请人：BAETTIG Urs

  公开号：US20110230483A1

  公开（公告）日：2011-09-22

  The present invention provides pyridine and pyrazine derivatives which restore or enhance the function of mutant and/or wild type CFTR to treat cystic fibrosis, primary ciliary dyskinesia, chronic bronchitis, chronic obstructive pulmonary disease, asthma, respiratory tract infections, lung carcinoma, xerostomia and keratoconjunctivitis sire, or constipation (IBS, IBD, opioid induced). Pharmaceutical compositions comprising such derivatives are also encompassed.

  本发明提供吡啶和吡嗪衍生物，可恢复或增强突变型和/或野生型CFTR的功能，用于治疗囊性纤维化、原发性纤毛运动障碍、慢性支气管炎、慢性阻塞性肺疾病、哮喘、呼吸道感染、肺癌、口干症和角膜结膜炎，或便秘（肠易激综合征、炎症性肠病、阿片类药物诱导）。还包括含有这些衍生物的药物组合物。
• Diphenyloxazaborolidine a new catalyst for enantioselective reduction of ketones
  作者：George J. Quallich、Teresa M. Woodall

  DOI：10.1016/s0040-4039(00)60513-0

  日期：1993.6

  A variety of ketones can be reduced in high enantioselectivity with the oxazaborolidines derived from commercially available erythro aminodiphenylethanol.

  衍生自市售赤型氨基二苯乙醇的恶唑硼烷可以高对映选择性还原多种酮。
• Asymmetric syntheses. Part VII. Asymmetric reduction of ketones and alk-2-en-4-yn-1-ols with a lithium bismenthyloxyaluminium hydride complex; determination of the absolute configurations of allenic alcohols
  作者：R. James D. Evans、Stephen R. Landor、John P. Regan

  DOI：10.1039/p19740000552

  日期：——

  the former from (–)-(S)-α-chloroethyl 1-methylprop-2-ynyl ether involving elimination of hydrogen chloride followed by a Claisen sigmatropic rearrangement, and reduction of the resulting aldehyde. Asymmetric reduction of 4-methyl- and 4,4-dimethyl-pentan-2-ones with lithium bismenthyloxyaluminium hydride gave partially resolved (+)-4-methyl- and 4,4-dimethyl-pentan-2-ols.

  （+）-己-和（+）-庚-3,4-二烯醇可通过用二薄荷基氧基铝氢化锂还原六-和庚-2-en-4-yn-1-醇而容易地获得。已显示两个二烯酚均具有（+）- S-构型；前者由（–）-（S）-α-氯乙基1-甲基丙-2-炔基醚合成，其中涉及消除氯化氢，然后进行克莱森（Claisen）σ重排，并还原生成的醛，从而证实了这一点。用二薄荷基氧基铝氢化锂不对称还原4-甲基-和4,4-二甲基-戊烷-2-酮，得到部分拆分的（+）-4-甲基-和4,4-二甲基-戊烷-2-醇。