2-Isoamylcyclohexanon | 24857-25-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Isoamylcyclohexanon
• 英文别名: 2-(3-Methylbutyl)cyclohexanon；(+/-)-2-isopentylcyclohexanone；2-Isopentyl-cyclohexanon；2-(3-Methylbutyl)cyclohexan-1-one
• CAS: 24857-25-8
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: NUABBYCKUCDQBN-UHFFFAOYSA-N

物化性质

• 沸点：
  58 °C(Press: 0.3 Torr)
• 密度：
  0.8985 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 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-Isoamylcyclohexanon 生成 2-bromo-6-(3-methylbutyl)cyclohexan-1-one
  参考文献：
  名称：

  SAHNI, S. B.;GUPTA, S. M., J. INST. CHEM. (INDIA), 1984, 56, N 2, 81-84

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 、 水 、 溶剂黄146 作用下， 生成 2-Isoamylcyclohexanon
  参考文献：
  名称：

  The Reaction of 2-Substituted Cyclohexanones with Organometallic Compounds

  摘要：

  DOI：

  10.1021/ja01530a018

文献信息

• [EN] SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS<br/>[FR] COMPOSÉS 3-PHÉNYL-1,2,4-OXADIAZOLE SUBSTITUÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012012477A1

  公开（公告）日：2012-01-26

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C1-C4 alkyl, or (ii) R1 and R2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C1-6alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and chronic inflammatory disease.

  本文揭示了Formula (I)的化合物：(I)或其立体异构体、盐或前药，其中：(i) R1和R2独立地为C1-C4烷基，或者(ii) R1和R2与它们连接的碳原子一起形成一个环状基团；Q为H，C1-6烷基，苯基或带有零至3个取代基的5-至6-成员杂环芳基；G在此处有定义。还揭示了使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面具有用途，例如自身免疫疾病和慢性炎症性疾病。
• A facile and practical method of preparing optically active α-monosubstituted cycloalkanones by thermodynamically controlled deracemization
  作者：Hiroto Kaku、Aya Nakamaru、Makoto Inai、Takeshi Nishii、Mitsuyo Horikawa、Tetsuto Tsunoda

  DOI：10.1016/j.tet.2010.09.085

  日期：2010.11

  efficiency of this thermodynamically controlled deracemization was strongly influenced by the mixture ratio of the solvent, H2O/MeOH. Based on this finding, an improved method of preparing (R)-2-monosubstituted cycloalkanones with higher optical purity was developed. For example, (R)-2-(4-methylbenzyl)cyclohexanone (5) was obtained in 85% yield with 98% ee, when a 1:1 mixture of H2O/MeOH was used as the solvent

  当在碱性MeOH水溶液中将TADDOLs（例如1a，b）用作主体分子时，外消旋的2-单取代的环烷酮被转化为R-异构体。该热力学控制的脱硝的效率受到溶剂H 2 O / MeOH的混合比的强烈影响。基于该发现，开发了制备具有更高光学纯度的（R）-2-单取代的环烷酮的改进方法。例如，（- [R）-2-（4-甲基苄基）环己酮（5以85％的产率得到98％ee的，当1）：H 1混合物2中使用O / MeOH作为溶剂中的存在1a。
• SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS
  申请人：Das Jagabandhu

  公开号：US20130158001A1

  公开（公告）日：2013-06-20

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C 1 -C 4 alkyl, or (ii) R 1 and R 2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C 1-6 alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and chronic inflammatory disease.

  本发明涉及式(I)的化合物：(I)或其立体异构体、盐或前药，其中：(i) R1和R2独立地是C1-C4烷基，或者(ii) R1和R2与它们连接的碳原子一起形成一个环状基团；Q为H、C1-6烷基、苯基或5-到6-成员杂环芳基取代零至3个取代基，G在此定义。还公开了使用这些化合物作为选择性G蛋白偶联受体S1P1激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病中是有用的，例如自身免疫性疾病和慢性炎症性疾病。
• GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE
  申请人：Shanler Stuart D.

  公开号：US20130079379A1

  公开（公告）日：2013-03-28

  Embodiments relating to gels comprising imidazoline alpha agonists, such as, without limitation, oxymetazoline or a pharmaceutically acceptable salt thereof, and methods for treating diseases, such as, without limitation, rosacea, including, for example, erythematotelangiectatic rosacea, papulopustular rosacea, phymatous rosacea, ocular rosacea or combinations thereof; and symptoms associated with rosacea, including, for example, papules, pustules, phymas (skin thickening), telangiectasias or erythema or redness associated with rosacea, other skin erythemas, telangiectasias, purpura or the like, and other manifestations associated therewith or combinations thereof using such gels are described herein.

  本文描述了涵盖咪唑啉α激动剂的凝胶实施例，例如，但不限于甲醛唑啉或其药学上可接受的盐，并且描述了用这样的凝胶治疗疾病的方法，例如，但不限于酒渣鼻，包括红斑毛细血管扩张型酒渣鼻、丘疹脓疱型酒渣鼻、皮肤增厚型酒渣鼻、眼部酒渣鼻或其组合；以及与酒渣鼻相关的症状，例如丘疹、脓疱、酒渣鼻（皮肤增厚）、毛细血管扩张或与酒渣鼻相关的红斑或红色症状，其他皮肤红斑、毛细血管扩张、紫斑或类似症状以及与之相关的其他表现或其组合。
• PHARMACEUTICAL CREAM COMPOSITIONS COMPRISING OXYMETAZOLINE TO TREAT ROSACEA
  申请人：ALLERGAN, INC.

  公开号：EP3181121A1

  公开（公告）日：2017-06-21

  Embodiments relating to cream formulations as well as oxymetazoline creams and methods for treating rosacea and symptoms associated with rosacea, including, for example, papules, pustules, phymas (skin thickening), telangiectasias or erythema associated with rosacea, other skin erythemas, telangiectasias, purpura or the like, and other manifestations associated therewith; other inflammatory conditions of the skin including, but not limited to, keratosis pilaris, lupus miliaris dissemniatus faciei, eczema, dermatitis, such as contact dermatitis, atopic dermatitis, seborrheic dermatitis, nummular dermatitis, generalized exfoliative dermatitis, statis dermatitis, neurodermatitis, lichen simplex chronicus, xerosis and xerotic dermatitis, dyshidrosis and dyshidrotic dermatitis, asteototic dermatitis or other conditions characterized by sensitive skin or a disturbance of the epidermal barrier; disorders characterized by rough, dry, cracked or fissured skin, disorders characterized by hyperkeratotic skin such as keratodermas and ichthyosisis and ichthyosiform dermatoses; disorders of hair follicles and sebaceous glands, such as acne, perioral dermatitis, and pseudofolliculitis barbae; disorders of sweat glands, such as miliaria, including, but not limited to, miliaria crystallina, miliaria rubra, miliaria profunda, miliaria pustulosa; sunburn, chronic actinic damage, poikiloderma, radiation dermatitis, actinic purpura ("solar purpura"); other inflammatory dermatoses, reactions and conditions of the skin, including, but not limited to, psoriasis, drug eruptions, erythema multiforme, erythema nodosum, and granuloma annulare; diseases and conditions characterized by bleeding or bruising such as petechiae, ecchymosis, purpura and the like including any accumulation of blood in the skin due to vascular extravasation, irrespective of size or cause, bleeding or bruising due to any skin injury which may include any trauma including surgical or procedural trauma; infection, inflammatory dermatoses or inflammation due to any cause using such creams are described herein.

  本发明涉及用于治疗酒糟鼻和与酒糟鼻相关症状的乳膏制剂以及羟甲唑啉乳膏和方法的实施例，这些症状包括例如与酒糟鼻相关的丘疹、脓疱、皮赘（皮肤增厚）、毛细血管扩张或红斑、其他皮肤红斑、毛细血管扩张、紫癜或类似症状，以及与之相关的其他表现；其他皮肤炎症，包括但不限于毛囊角化症、散在性红斑狼疮、湿疹、皮炎，如接触性皮炎、特应性皮炎、脂溢性皮炎、麻疹性皮炎、全身性剥脱性皮炎、静止性皮炎、神经性皮炎、慢性单纯性苔藓、干燥症和干燥性皮炎、湿疹和湿疹性皮炎、骨化性皮炎或其他以皮肤敏感或表皮屏障紊乱为特征的疾病；以皮肤粗糙、干燥、皲裂或裂口为特征的疾病，以皮肤角化过度为特征的疾病，如角化性皮炎、鱼鳞病和鱼鳞状皮肤病；毛囊和皮脂腺疾病，如痤疮、口周皮炎和假性毛囊炎；汗腺疾病，如脓疱疮，包括但不限于结晶性脓疱疮、红斑性脓疱疮、深部脓疱疮和脓疱性脓疱疮；日光灼伤、慢性光化性损伤、痘疹、放射性皮炎、光化性紫癜（"日光性紫癜"）；其他炎症性皮肤病、皮肤反应和皮肤状况，包括但不限于牛皮癣、药物性糜烂、多形性红斑、结节性红斑和环状肉芽肿；以出血或瘀伤为特征的疾病和病症，如瘀斑、瘀点、紫癜等，包括血管外渗引起的任何皮肤积血，无论其大小或原因如何；任何皮肤损伤引起的出血或瘀伤，其中可能包括任何创伤，包括手术或程序性创伤；感染、炎症性皮肤病或任何原因引起的炎症，均可使用本文所述的药膏。