2,3-二甲基-2-异丙基丁酰氯 | 51115-81-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 中文名称: 2,3-二甲基-2-异丙基丁酰氯
• 中文别名: 2,3-二甲基-2-异丙基丁酰氯化
• 英文名称: 2-isopropyl-2,3-dimethylbutanoyl chloride
• 英文别名: 2,3-dimethyl-2-isopropylbutanoyl chloride；2,3-dimethyl-2-isopropylbutyryl chloride；2,3-dimethyl-2-propan-2-ylbutanoyl chloride
• CAS: 51115-81-2
• 化学式: C₉H₁₇ClO
• 分子量: 176.686
• InChiKey: WMEBPQLEDFWBRX-UHFFFAOYSA-N

物化性质

• 沸点：
  180.4±8.0 °C(Predicted)
• 密度：
  0.947±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-二甲基-2-异丙基丁酰氯 以67%的产率得到
  参考文献：
  名称：

  LION C.; DUBOIS J.-E.; BONZOUGOU Y., J. CEM. RES. SYNOP., 1978, NO 2, 46

  摘要：

  DOI：
• 作为产物：
  描述：

  N,2,3-三甲基-2-异丙基丁酰胺 在 草酰氯 、 硫酸 、 水 、 N,N-二甲基甲酰胺 、 sodium nitrite 作用下， 反应 3.0h， 生成 2,3-二甲基-2-异丙基丁酰氯
  参考文献：
  名称：

  Compositions With A Cooling Effect

  摘要：

  个人护理组合物，如口腔护理和皮肤护理组合物，包括一个或多个冷却剂。冷却剂提供的愉悦冷感在更快的开始、更大的强度、影响或更长的持续时间方面得到增强，这提高了组合物对消费者的吸引力和可接受性。此外，通过将活化化合物直接应用于靶向区域来治疗多余的脂肪组织。

  公开号：

  US20190330141A1

文献信息

• Meta-bis anilide derivatives and their utility as herbicides
  申请人：Stauffer Chemical Company

  公开号：US03937729A1

  公开（公告）日：1976-02-10

  Compounds corresponding to the formula: ##SPC1## In which R.sub.1 and R.sub.2 are, independently, hydrogen, alkyl, alkoxyalkyl, cycloalkyl, pinonyl, ethylcycloalkyl, lower alkenyl, halogenated lower alkyl, benzyl, ethylphenyl, 2,4-dichlorophenoxy-methylene, styryl, furyl, phenyl or substituted phenyl in which the substituents are nitro, halogen, methyl, or methoxy; R.sub.3 and R.sub.4 are, independently, hydrogen or lower alkyl; X and Y are independently oxygen or sulfur; and Z is halogen, nitro, amino, lower alkyl, lower alkoxy or trifluoromethyl and n is an integer having a value from 0 to 4. The above compounds are effective herbicides, particularly for the control of grasses and broadleaf plants with both pre-emergence and post-emergence activity. Representative compounds are: m-propionamidobutyranilide, m-bis-2,2-dimethylvaleranilide, m-isobutyramido trichloroacetanilide, m-isobutyramido-2-ethylbutyranilide, m-t-butylacetamidopropionanilide, and 3'-N-ethyl propionamido-propionalide. This application is a continuation of application Ser. No. 180,916, filed Sept. 15, 1971, which is a continuation of application Ser. No. 20,104, filed Mar. 16, 1970, which is a continuation-in-part of application Ser. No. 741,267, filed July 1, 1968, which is a continuation-in-part of application Ser. No. 659,865, filed Aug. 11, 1967, all now abandoned.

  符合公式：##SPC1## 的化合物，其中R1和R2分别独立地为氢、烷基、烷氧基烷基、环烷基、松香基、乙基环烷基、低级烯基、卤代低级烷基、苄基、乙基苯基、2,4-二氯苯氧基亚甲基、苯乙烯基、呋喃基、苯基或取代的苯基，其中取代基为硝基、卤素、甲基或甲氧基；R3和R4分别独立地为氢或低级烷基；X和Y分别独立地为氧或硫；Z为卤素、硝基、氨基、低级烷基、低级烷氧基或三氟甲基，n为0至4之间的整数。上述化合物是有效的除草剂，特别是用于控制具有苗前和苗后活性的禾本科植物和阔叶植物。代表性的化合物包括：m-丙酸酰胺丁酰替苯胺，m-双-2,2-二甲基戊替苯胺，m-异丁酰胺三氯乙酰替苯胺，m-异丁酰胺-2-乙基丁酰替苯胺，m-t-丁基乙酰胺丙酰替苯胺和3'-N-乙基丙酰胺丙酰替苯胺。此申请是1971年9月15日提交的申请Ser. No. 180,916的继续申请，该申请是1970年3月16日提交的申请Ser. No. 20,104的继续申请，该申请是1968年7月1日提交的申请Ser. No. 741,267的继续部分申请，该申请是1967年8月11日提交的申请Ser. No. 659,865的继续部分申请，所有这些申请现在都已放弃。
• Compositions and methods for the treatment of disease associated with Trp-p8 expression
  申请人：Natarajan K. Sateesh

  公开号：US20050054651A1

  公开（公告）日：2005-03-10

  Provided are small-molecule Trp-p8 modulators, including Trp-p8 agonists and Trp-p8 antagonists, and compositions comprising small-molecule Trp-p8 agonists as well as methods for identifying and characterizing novel small-molecule Trp-p8 modulators and methods for decreasing viability and/or inhibiting growth of Trp-p8 expressing cells, methods for activating Trp-p8-mediated cation influx, methods for stimulating apoptosis and/or necrosis, and related methods for the treatment of diseases, including cancers such as lung, breast, colon, and/or prostate cancers as well as other diseases, such as benign prostatic hyperplasia, that are associated with Trp-p8 expression.

  提供了小分子Trp-p8调节剂，包括Trp-p8激动剂和Trp-p8拮抗剂，以及包含小分子Trp-p8激动剂的组合物，以及用于识别和表征新型小分子Trp-p8调节剂的方法，以及用于降低Trp-p8表达细胞的存活能力和/或抑制生长的方法，用于激活Trp-p8介导的阳离子流入的方法，用于刺激凋亡和/或坏死的方法，以及用于治疗疾病的相关方法，包括肺癌、乳腺癌、结肠癌和/或前列腺癌等癌症，以及与Trp-p8表达相关的其他疾病，如良性前列腺增生。
• Organic Compounds Having Cooling Properties
  申请人：Furrer Stefan Michael

  公开号：US20120095042A1

  公开（公告）日：2012-04-19

  Provided are compounds of formula (I) wherein m is 0, 1 or 2; R I is a mono- or bicyclic heterocyclic ring system including one, two or three heteroatoms selected from nitrogen, sulphur and oxygen; R 2 is selected from hydrogen, methyl and ethyl; I) R 3 is hydrogen, methyl, or ethyl; and R 4 and R 5 are independently selected from ethyl and isopropyl; and R 3 , R 4 and R 5 together have at least 6 carbon atoms: or II) any two or all of R 3 , R 4 and R 5 form together with the carbon atom to which they are attached 3-para-menthyl, bornyl, or adamantyl; having cooling properties, their use as cooling agent and compositions including them.

  提供的化合物为公式(I)，其中m为0、1或2；RI为单环或双环杂环环系统，包括从氮、硫和氧中选择的一个、两个或三个杂原子；R2选择氢、甲基和乙基；I）R3为氢、甲基或乙基；R4和R5独立选择自乙基和异丙基；且R3、R4和R5共有至少6个碳原子；或II）R3、R4和R5中的任意两个或全部与它们所连接的碳原子形成3-对薄荷基、博尔尼基或金刚烷基；具有冷却性质，其用途为冷却剂和包括它们的组合物。
• [EN] PHYSIOLOGICAL COOLING COMPOUNDS<br/>[FR] COMPOSÉS DE REFROIDISSEMENT PHYSIOLOGIQUE
  申请人：PINOVA HOLDINGS INC

  公开号：WO2016196751A1

  公开（公告）日：2016-12-08

  Physiological cooling compounds of Structure 1, where R1 is p-menthyl or 2,3,4-trimethylpent-3-yl group and R2-R8 are hydrogen or alkyl groups. The combination of R2-R8 is such that the N-alkyl group is a branched C5 alkyl or branched or linear C6-C8 alkyl group. The new carboxamides are valuable sensory ingredients which provide long-lasting cooling sensation and freshness in personal care, oral care, cosmetic products, pharmaceutical preparations, confectionary, food and beverages.

  结构式1的生理降温化合物，其中R1是对薄荷基或2,3,4-三甲基戊-3-基基团，R2-R8为氢或烷基团。R2-R8的组合使得N-烷基团为支链C5烷基或支链或线性C6-C8烷基团。这些新的羧酰胺化合物是有价值的感官成分，可以在个人护理、口腔护理、化妆品、制药制剂、糖果、食品和饮料中提供持久的降温感和清新感。
• Compounds with physiological cooling effect
  申请人：Qaroma, Inc

  公开号：US07030273B1

  公开（公告）日：2006-04-18

  Novel compounds of 2,3-dimethyl-2-isopropylbutyric acid were claimed in this patent to possess pronounced cooling effect on the skin and on the mucous membranes of the body. These compounds also possess good taste quality and low melting points with no malodor. The preparations and some illustrative application of these compounds are also disclosed.

  本专利声称2,3-二甲基-2-异丙基丁酸的新化合物在皮肤和身体粘膜上具有显著的降温效果。这些化合物还具有良好的口感质量和低熔点，没有异味。本专利还披露了这些化合物的制备和一些说明性应用。