3-巯基-3-甲基-1-丁醇乙酸酯 | 50746-09-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-巯基-3-甲基-1-丁醇乙酸酯
• 英文名称: 3-mercapto-3-methylbutyl acetate
• 英文别名: 3-Mercapto-3-methyl-1-butyl acetate；(3-methyl-3-sulfanylbutyl) acetate
• CAS: 50746-09-3
• 化学式: C₇H₁₄O₂S
• mdl: MFCD08457876
• 分子量: 162.253
• InChiKey: HEZWKNVLHZGPOE-UHFFFAOYSA-N

物化性质

• 沸点：
  209.5±23.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)
• LogP：
  1.83
• 物理描述：
  Clear, colourless liquid; Fruit aroma
• 溶解度：
  Slightly soluble in water; Soluble in many non-polar solvents
• 折光率：
  1.455-1.456
• 保留指数：
  1080;1082

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  3-巯基-3-甲基-1-丁醇乙酸酯 在 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 以26 g (93%)的产率得到3-巯基-3-甲基-1-丁醇
  参考文献：
  名称：

  Mercapto alcohols and mercaptoalkyl esters

  摘要：

  新化合物的化学式为##EQU1## 其中R.sub.1代表具有1至7个碳原子的碳氢基团，R.sub.2是氢、甲基或乙基，R.sub.3是氢、甲酰基或乙酰基。这些化合物在制备、改性和增强各种口味和香水组合中非常有用。

  公开号：

  US03970689A1
• 作为产物：
  描述：

  3-acetylthio-3-methylbutanal 在 sodium tetrahydroborate 、 NaOCH₃ 、 sodium chloride 作用下， 以 甲醇 、 水 为溶剂， 以25 g (77%)的产率得到3-巯基-3-甲基-1-丁醇乙酸酯
  参考文献：
  名称：

  Mercapto alcohols and mercaptoalkyl esters

  摘要：

  新化合物的化学式为##EQU1## 其中R.sub.1代表具有1至7个碳原子的碳氢基团，R.sub.2是氢、甲基或乙基，R.sub.3是氢、甲酰基或乙酰基。这些化合物在制备、改性和增强各种口味和香水组合中非常有用。

  公开号：

  US03970689A1

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use
  申请人：——

  公开号：US20020143007A1

  公开（公告）日：2002-10-03

  The present invention describes novel nitrosated and/or nitrosylated &agr;-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated &agr;-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one &agr;-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型硝化和/或硝基化α-肾上腺素受体拮抗剂，以及包含至少一种硝化和/或硝基化α-肾上腺素受体拮抗剂的新型组合物，以及可选地包含一种或多种捐赠、转移或释放一氧化氮、提高内源性内皮衍生松弛因子水平、刺激内源性一氧化氮合成或是一氧化氮合成酶底物的化合物，和/或一种或多种血管活性药物。本发明还提供了包含至少一种α-肾上腺素受体拮抗剂和一种或多种捐赠、转移或释放一氧化氮、提高内源性内皮衍生松弛因子水平、刺激内源性一氧化氮合成或是一氧化氮合成酶底物，和/或一种或多种血管活性药物的新型组合物。本发明还提供了用于治疗或预防男性和女性的性功能障碍、增强男性和女性的性反应，以及治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（Printzmetal）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、急迫性尿失禁或过度活跃膀胱，以及逆转麻醉状态的方法。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Diversity‐Oriented Desulfonylative Functionalization of Alkyl Allyl Sulfones
  作者：Yong Xia、Armido Studer

  DOI：10.1002/anie.201903668

  日期：2019.7.15

  The diversity‐oriented desulfonylative functionalization of alkyl allyl sulfones with various sulfone‐type reagents by radical chemistry has been developed. The readily installed allylsulfonyl moiety acts as a C‐radical precursor, which is substituted by various functionalities using sulfur‐based radical trapping reagents. The generality of this approach is documented by the successful desulfonylative

  通过自由基化学，已开发了具有多种砜类试剂的烷基烯丙基砜的多样性导向型脱磺酰基官能化方法。易于安装的烯丙基磺酰基部分充当C自由基的前体，使用硫基自由基捕获剂将其替换为各种官能团。这种方法的普遍性已由成功的脱磺酰基化炔基化，叠氮化，三氟甲硫基化，亚磺酰基化，三氟甲基硒基化，卤化和氘化证明。该方法与多种官能团兼容。考虑到氘，以高收率掺入氘以高收率获得产物。
• [EN] NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE<br/>[FR] ANTAGONISTES NITROSES ET NITROSYLES DES RECEPTEURS ALPHA-ADRENERGIQUES, COMPOSITIONS ET METHODES D'UTILISATION
  申请人：NITROMED INC

  公开号：WO2000012075A1

  公开（公告）日：2000-03-09

  The present invention describes novel nitrosated and/or nitrosylated α-adrenergic receptor antagonists, and novel compositions containing at least one nitrosated and/or nitrosylated α-adrenergic receptor antagonist, and, optionally, one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or are a substrate for nitric oxide synthase, and/or one or more vasoactive agents. The present invention also provides novel compositions containing at least one α-adrenergic receptor antagonist, and one or more compounds that donate, transfer or release nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor, stimulate endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or one or more vasoactive agents. The present invention also provides methods for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing benign prostatic hyperplasia, hypertension, congestive heart failure, variant (Printzmetal) angina, glaucoma, neurodegenerative disorders, vasospastic diseases, cognitive disorders, urge incontinence, or overactive bladder, and for reversing the state of anesthesia.

  本发明描述了新型的硝化和/或亚硝化α-肾上腺素受体拮抗剂，以及至少包含一种硝化和/或亚硝化α-肾上腺素受体拮抗剂的新型组合物，以及可选地，一个或多个化合物，它们捐赠、转移或释放一氧化氮，提高内皮源性松弛因子的内源水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，和/或一个或多个血管活性药物。本发明还提供了至少包含一种α-肾上腺素受体拮抗剂、一个或多个化合物，它们捐赠、转移或释放一氧化氮，提高内皮源性松弛因子的内源水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，和/或一个或多个血管活性药物的新型组合物。本发明还提供了用于治疗或预防男女性功能障碍，增强男女性反应，治疗或预防良性前列腺增生、高血压、充血性心力衰竭、变异性（普林兹金属）心绞痛、青光眼、神经退行性疾病、血管痉挛性疾病、认知障碍、压力性尿失禁或过度活动性膀胱，以及逆转麻醉状态的方法。