2,2,3-trimethyl-3-phenylbutanoic acid | 29206-02-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2,2,3-trimethyl-3-phenylbutanoic acid
• 英文别名: 2,2,3,3-Tetramethyl-3-phenylpropionsaeure；2,2,3-trimethyl-3-phenyl-butyric acid；2,2,3-Trimethyl-3-phenyl-buttersaeure；2,2,3-Trimethyl-3-phenylbutanoic acid
• CAS: 29206-02-8
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: QTPYRGILGMEPKC-UHFFFAOYSA-N

物化性质

• 熔点：
  179 °C
• 沸点：
  306.4±11.0 °C(Predicted)
• 密度：
  1.029±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,3-trimethyl-3-phenylbutanoic acid 在 氯化亚砜 作用下， 生成 2,2,3-trimethyl-3-phenyl-butyryl chloride
  参考文献：
  名称：

  334.芳香族化合物与叔酸衍生物之间的反应。第六部分 由某些烷基化的苯基丙酰氯同时形成开链和环状酮

  摘要：

  DOI：

  10.1039/jr9510001459
• 作为产物：
  描述：

  3-hydroxy-2,2,3-trimethyl-butyric acid ethyl ester 在 三氯化铝 作用下， 生成 2,2,3-trimethyl-3-phenylbutanoic acid
  参考文献：
  名称：

  113.烷基化对Friedel-Crafts合成中酸衍生物反应的影响

  摘要：

  DOI：

  10.1039/jr9430000425

文献信息

• [EN] QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS<br/>[FR] DÉRIVÉS DE QUINOLÉINE, DE NAPHTALÈNE, DE QUINOLÉINE OU DE NAPHTALÈNE CONTRAINT AU NIVEAU CONFORMATION EN TANT QU'AGENTS ANTIMYCOBACTÉRIENS
  申请人：CHATTOPADHYAYA JYOTI

  公开号：WO2009091324A1

  公开（公告）日：2009-07-23

  The invention relates to a compound of general formula I, II, III, IV, V, VI, VII, VIII, IX, X or a tautomer and the stereochemically isomeric forms thereof or pharmaceutically acceptable salts thereof, a N-oxide form thereof or a pro-drug thereof. The compound is usable as a medicament for the treatment of mycobacterial disease.

  该发明涉及一般式I、II、III、IV、V、VI、VII、VIII、IX、X的化合物，或其立体化学异构体或药学上可接受的盐，其N-氧化物形式或其前药。该化合物可用作治疗分枝杆菌病的药物。
• Building Congested Ketone: Substituted Hantzsch Ester and Nitrile as Alkylation Reagents in Photoredox Catalysis
  作者：Wenxin Chen、Zheng Liu、Jiaqi Tian、Jin Li、Jing Ma、Xu Cheng、Guigen Li

  DOI：10.1021/jacs.6b06379

  日期：2016.9.28

  For the first time, 4-alkyl Hantzsch esters were used to construct molecules with all-carbon quaternary centers by visible light-induced photoredox catalysis via transfer alkylation. Up to a 1500 h(-1) turnover frequency was achieved in this reaction. Reactions of 4-alkyl Hantzsch nitriles as tertiary radical donors joined two contiguous all-carbon quaternary centers intermolecularly, and this chemistry

  首次使用 4-烷基 Hantzsch 酯通过转移烷基化通过可见光诱导的光氧化还原催化构建具有全碳四元中心的分子。在此反应中实现了高达 1500 h(-1) 的营业额频率。4-烷基汉茨腈作为叔自由基供体的反应分子间连接了两个连续的全碳四元中心，这种化学反应被用来合成一类羟基类固醇脱氢酶抑制剂的常见前体。
• PRO-FRAGRANCE COMPOSITION
  申请人：Aqdot Limited

  公开号：EP3416729A1

  公开（公告）日：2018-12-26
• HIGH INTENSITY SWEETENERS
  申请人：Senomyx, Inc.

  公开号：US20170119032A1

  公开（公告）日：2017-05-04

  Disclosed herein are compounds having structural Formula (I), or salts thereof. These compounds are useful as sweet tasting agents and/or sweetness enhancers. Also disclosed are compositions comprising the present compounds and methods of increasing the sweet taste of ingestible compositions. Furthermore, methods for preparing the compounds are also disclosed.
• [EN] PRO-FRAGRANCE COMPOSITION<br/>[FR] COMPOSITION DE PRÉCURSEUR DE PARFUM
  申请人：AQDOT LTD

  公开号：WO2017141030A1

  公开（公告）日：2017-08-24

  Provided are pro-fragrance compositions comprising a cucurbituril in complex with a fragrance molecule and use of the compositions in counteracting malodour. The cucurbituril is present as a mixture, wherein the mixture comprises at least two different cucurbiturils selected from CB[5], CB[6], CB[7] and CB[8]. The complexed fragrance molecule is released when the composition is exposed to a stimulus. The invention also provides methods for the preparation of pro-fragrance complexes of cucurbiturils and fragrance molecules.